Mrv1652303202019012D          

 12 11  0  0  1  0            999 V2000
   13.2882   -6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0027   -7.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5737   -7.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7172   -6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8593   -6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5737   -7.8390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4316   -7.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1448   -7.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8593   -5.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1461   -6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8606   -7.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1461   -5.7765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB023167

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1

> <INCHI_KEY>
ODKSFYDXXFIFQN-SCSAIBSYSA-N

> <FORMULA>
C6H14N4O2

> <MOLECULAR_WEIGHT>
174.201

> <EXACT_MASS>
174.111675712

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.044088446937554

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-amino-5-carbamimidamidopentanoic acid

> <ALOGPS_LOGP>
-3.49

> <JCHEM_LOGP>
-3.1559373774200568

> <ALOGPS_LOGS>
-1.88

> <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>
53.9231

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.28e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-arginine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB023167

> <GENERIC_NAME>
D-Arginine

$$$$