Molecule

ID:85816

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO
Molecular Mass
266.12266
Exact Mass
265.00611927
Charge
0
InChI
InChI=1S/C13H9Cl2NO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKey
ZRTPCLPWDMPXBB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NC(=O)c1ccccc1
Isomeric Smiles
N(c1ccc(cc1Cl)Cl)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.430104
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2732153
LogD (pH = 7.4)
4.2728353
Log P
4.27322
Molar Refractivity
71.2011
Polarizability
26.692263
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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