Molecule

ID:35619

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₂
Molecular Mass
275.73016
Exact Mass
275.07130637
Charge
0
InChI
InChI=1S/C15H14ClNO2/c16-14-4-2-1-3-12(14)10-17-13-7-5-11(6-8-13)9-15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKey
VXRROBCBHWAZEM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)NCc1ccccc1Cl
Isomeric Smiles
c1(CNc2ccc(CC(=O)O)cc2)c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
3.22899
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0918481
LogD (pH = 7.4)
0.42147726
Log P
2.7226903
Molar Refractivity
76.9768
Polarizability
28.960314
Polar Surface Area
49.33
Rotatable Bonds
5
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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