Molecule

ID:25524

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₂
Molecular Mass
297.73568
Exact Mass
297.05565631
Charge
0
InChI
InChI=1S/C17H12ClNO2/c1-10-5-7-11(8-6-10)15-9-13(17(20)21)12-3-2-4-14(18)16(12)19-15/h2-9H,1H3,(H,20,21)
InChIKey
MLOOGLXTXMVIAZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)C)C(=O)O)cccc2Cl
Calculated Properties
JChem
Acid pKa
3.5624363
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0071177
LogD (pH = 7.4)
1.5831307
Log P
4.939025
Molar Refractivity
81.8457
Polarizability
33.90146
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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