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PUBCHEM-ZINC04671684

 MMsINC code: MMs03151323
Type: Neutral
Formula: C9H7ClFNO2
SMILES:   ClC1(F)CC1c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C9H7ClFNO2/c10-9(11)5-8(9)6-1-3-7(4-2-6)12(13)14/h1-4,8H,5H2/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=60.9151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.611 g/mol  logS: -3.58024  SlogP: 3.4066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684534  Sterimol/B1: 2.50071  Sterimol/B2: 2.77459  Sterimol/B3: 3.84934
  Sterimol/B4: 5.09775  Sterimol/L: 11.7719 
 
 Surface and Volume Properties
  Accessible surface: 374.852  Positive charged surface: 122.022  Negative charged surface: 252.83  Volume: 173.25
  Hydrophobic surface: 177.519  Hydrophilic surface: 197.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.