Molecule

ID:30752

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂NO₂
Molecular Mass
208.04198
Exact Mass
206.98538383
Charge
0
InChI
InChI=1S/C7H6ClNO2.ClH/c8-4-1-6-7(2-5(4)9)11-3-10-6;/h1-2H,3,9H2;1H
InChIKey
VFRWGYBNVDWZBP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2OCOc2cc1N.Cl
Isomeric Smiles
c1c2c(cc(c1N)Cl)OCO2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3707545
LogD (pH = 7.4)
1.3715874
Log P
1.371598
Molar Refractivity
41.3301
Polarizability
15.872364
Polar Surface Area
44.48
Rotatable Bonds
0
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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