Molecule

ID:51163

General Information
Structure
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c1-8-6-11(14-12(15)7-8)9-2-4-10(13)5-3-9/h2-7H,1H3,(H,14,15)
InChIKey
BVRDVCRJCIXLMS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cc(C)cc(=O)[nH]1
Isomeric Smiles
c1([nH]c(=O)cc(c1)C)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.191801
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1621716
LogD (pH = 7.4)
2.1621103
Log P
2.1621723
Molar Refractivity
62.8152
Polarizability
23.302635
Polar Surface Area
29.1
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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