Molecule

ID:43504

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂O
Molecular Mass
230.64978
Exact Mass
230.02469053
Charge
0
InChI
InChI=1S/C12H7ClN2O/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H
InChIKey
XJWQTNSNYCTDNN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)c1nc2c(o1)cccc2
Isomeric Smiles
c1(nc2c(o1)cccc2)c1cnc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.951183
LogD (pH = 7.4)
2.951185
Log P
2.951185
Molar Refractivity
71.5339
Polarizability
25.142937
Polar Surface Area
38.92
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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