Mrv0541 02241221482D          

 13 11  0  0  1  0            999 V2000
    7.2849    1.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.0059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5704    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    3.2434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    3.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3975    2.9494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB011914

> <DATABASE_NAME>
foodb

> <SMILES>
Cl.N[C@@H](CCCNC(N)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1

> <INCHI_KEY>
KWTQSFXGGICVPE-WCCKRBBISA-N

> <FORMULA>
C6H15ClN4O2

> <MOLECULAR_WEIGHT>
210.662

> <EXACT_MASS>
210.088353451

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
17.9468625742723

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride

> <JCHEM_LOGP>
-3.1559373774200568

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.4118378885304885

> <JCHEM_PKA_STRONGEST_BASIC>
12.41100429474531

> <JCHEM_POLAR_SURFACE_AREA>
125.22

> <JCHEM_REFRACTIVITY>
53.923100000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
L-arginine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB011914

> <GENERIC_NAME>
Arginine hydrochloride

$$$$