Molecule

ID:41238

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₂
Molecular Mass
234.63848
Exact Mass
234.01960515
Charge
0
InChI
InChI=1S/C11H7ClN2O2/c12-9-5-3-8(4-6-9)11-10(14(15)16)2-1-7-13-11/h1-7H
InChIKey
MRPFMKABLOJZPV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ncccc1[N+](=O)[O-]
Isomeric Smiles
c1cnc(c(c1)[N+](=O)[O-])c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.33266
LogD (pH = 7.4)
3.3326776
Log P
3.3326778
Molar Refractivity
60.7948
Polarizability
24.112005
Polar Surface Area
58.71
Rotatable Bonds
2
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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