Molecule

ID:65610

General Information
Structure
Molecular Formula
C₇H₇ClN₂O₂
Molecular Mass
186.59568
Exact Mass
186.01960515
Charge
0
InChI
InChI=1S/C7H7ClN2O2/c1-4-3-6(8)7(10(11)12)5(2)9-4/h3H,1-2H3
InChIKey
PSBGFLWVQDGETK-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c(c(n1)C)[N+](=O)[O-]
Isomeric Smiles
c1(c(c(cc(n1)C)Cl)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5622764
LogD (pH = 7.4)
1.5623418
Log P
1.5623426
Molar Refractivity
44.2094
Polarizability
16.842865
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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