Molecule

ID:25316

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₂
Molecular Mass
297.73568
Exact Mass
297.05565631
Charge
0
InChI
InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,21)
InChIKey
CDRUOLULNFZWLV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)c1nc2ccccc2c(c1C)C(=O)O
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)O)C)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
3.380809
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8279321
LogD (pH = 7.4)
1.5300281
Log P
4.939025
Molar Refractivity
81.8457
Polarizability
33.875713
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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