Molecule

ID:77632

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O
Molecular Mass
218.63908
Exact Mass
218.02469053
Charge
0
InChI
InChI=1S/C11H7ClN2O/c12-10(15)9-6-13-11(14-7-9)8-4-2-1-3-5-8/h1-7H
InChIKey
ALJPJRINUUKTMA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnc(nc1)c1ccccc1
Isomeric Smiles
n1c(ncc(c1)C(=O)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4808266
LogD (pH = 7.4)
2.4808285
Log P
2.4808285
Molar Refractivity
69.2481
Polarizability
22.564087
Polar Surface Area
42.85
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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