Molecule

ID:25463

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₂
Molecular Mass
297.73568
Exact Mass
297.05565631
Charge
0
InChI
InChI=1S/C17H12ClNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKey
XJIIWWXZEKPFPP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccccc1C)C(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cc(cc2)Cl)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
3.5566194
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0011003
LogD (pH = 7.4)
1.5810848
Log P
4.939025
Molar Refractivity
81.8457
Polarizability
33.875565
Polar Surface Area
50.19
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
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Molecule Details
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References
Bioactivity
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