Molecule

ID:40644

General Information
Structure
Molecular Formula
C₁₅H₁₀ClNO₂
Molecular Mass
271.6984
Exact Mass
271.04000625
Charge
0
InChI
InChI=1S/C15H10ClNO2/c16-10-5-7-11(8-6-10)17-13-9-15(18)19-14-4-2-1-3-12(13)14/h1-9,17H
InChIKey
XTKKFDIRDFFXEM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Nc1cc(=O)oc2c1cccc2
Isomeric Smiles
c1(cc(=O)oc2c1cccc2)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
13.19274
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0681593
LogD (pH = 7.4)
3.0681586
Log P
3.0681593
Molar Refractivity
76.2362
Polarizability
28.279118
Polar Surface Area
38.33
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
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 24526-89-4|4-[(4-chlorophenyl)amino]-2H-chromen-2-one|4-(4-Chloroanilino)-2H-chromen-2-one|4-[(4-chlorophenyl)amino]chromen-2-one | Molfinder