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ALFAAESAR-ZINC02168652

 MMsINC code: MMs00022759
Type: Neutral
Formula: C7HCl2F3N2O4
SMILES:   Clc1c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])cc1C(F)(F)F
InChI:   InChI=1/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H

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Potential Energy
Epot(MMFF94)=65.3924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.995 g/mol  logS: -5.49047  SlogP: 4.1401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612256  Sterimol/B1: 2.86352  Sterimol/B2: 2.86559  Sterimol/B3: 4.06556
  Sterimol/B4: 6.13565  Sterimol/L: 10.0405 
 
 Surface and Volume Properties
  Accessible surface: 389.262  Positive charged surface: 43.4064  Negative charged surface: 345.856  Volume: 183.75
  Hydrophobic surface: 148.606  Hydrophilic surface: 240.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.