Mrv0541 02241208552D          

 14 14  0  0  0  0            999 V2000
    4.1545   -4.0661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8689   -3.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545   -2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400   -3.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545   -4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400   -5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689   -5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690   -4.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834   -2.4161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834   -1.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2978   -2.8286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  1  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029932

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@@]1(CC(=C(C)C=C1)N(=O)=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9H,6H2,1-3H3/t9-/m1/s1

> <INCHI_KEY>
RIPRCNJJZGOFLC-SECBINFHSA-N

> <FORMULA>
C10H15NO2

> <MOLECULAR_WEIGHT>
181.2316

> <EXACT_MASS>
181.110278729

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
19.851299973159158

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5R)-2-methyl-1-nitro-5-(propan-2-yl)cyclohexa-1,3-diene

> <ALOGPS_LOGP>
2.37

> <JCHEM_LOGP>
2.3865950443333337

> <ALOGPS_LOGS>
-2.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
45.82

> <JCHEM_REFRACTIVITY>
54.19200000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-5-isopropyl-2-methyl-1-nitrocyclohexa-1,3-diene

> <JCHEM_VEBER_RULE>
0

> <NAME>
(R)-2-Nitro-p-mentha-1,5-diene

$$$$