Molecule

ID:79253

General Information
Structure
Molecular Formula
C₁₂H₇Cl₂NO₂
Molecular Mass
268.09548
Exact Mass
266.98538383
Charge
0
InChI
InChI=1S/C12H7Cl2NO2/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H
InChIKey
CAEKTJMKOZHNPM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ncccc1C(=O)Cl
Isomeric Smiles
O(c1c(cccn1)C(=O)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6452708
LogD (pH = 7.4)
3.6452754
Log P
3.6452754
Molar Refractivity
66.3749
Polarizability
25.429096
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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