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PUBCHEM-ZINC05998256

 MMsINC code: MMs03482284
Type: Neutral
Formula: C9H10ClNO3
SMILES:   ClCC(OC)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C9H10ClNO3/c1-14-9(6-10)7-2-4-8(5-3-7)11(12)13/h2-5,9H,6H2,1H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=65.3972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.636 g/mol  logS: -3.05659  SlogP: 2.6166  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.125158  Sterimol/B1: 2.30561  Sterimol/B2: 3.00152  Sterimol/B3: 4.30344
  Sterimol/B4: 4.7115  Sterimol/L: 12.4854 
 
 Surface and Volume Properties
  Accessible surface: 398.966  Positive charged surface: 195.326  Negative charged surface: 203.64  Volume: 186.75
  Hydrophobic surface: 255.122  Hydrophilic surface: 143.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.