Molecule

ID:84512

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂NO₃
Molecular Mass
284.09488
Exact Mass
282.98029845
Charge
0
InChI
InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H
InChIKey
RTCVXHVOOYCYNA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(cc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)Cl)Oc1ccc(cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6216063
LogD (pH = 7.4)
4.6216063
Log P
4.6216063
Molar Refractivity
69.2331
Polarizability
26.35753
Polar Surface Area
55.05
Rotatable Bonds
3
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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