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PUBCHEM-ZINC04671689

 MMsINC code: MMs03151324
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-/m1/s1

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Potential Energy
Epot(MMFF94)=51.0169 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: 0.0638677  Sterimol/B1: 2.49839  Sterimol/B2: 2.87941  Sterimol/B3: 3.54798
  Sterimol/B4: 5.09287  Sterimol/L: 12.6723 
 
 Surface and Volume Properties
  Accessible surface: 379.419  Positive charged surface: 121.129  Negative charged surface: 258.29  Volume: 174.75
  Hydrophobic surface: 181.196  Hydrophilic surface: 198.223
 
 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.