Molecule

ID:76972

General Information
Structure
Molecular Formula
C₁₁H₇Cl₂NO
Molecular Mass
240.08538
Exact Mass
238.99046921
Charge
0
InChI
InChI=1S/C11H7Cl2NO/c12-8-2-1-3-9(13)10(8)11(15)7-4-5-14-6-7/h1-6,14H
InChIKey
FLNZXANJCXCHQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1C(=O)c1cc[nH]c1)Cl
Isomeric Smiles
[nH]1cc(cc1)C(=O)c1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
14.584156
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7205722
LogD (pH = 7.4)
3.7205722
Log P
3.7205722
Molar Refractivity
61.0019
Polarizability
23.479216
Polar Surface Area
32.86
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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