Molecule

ID:25522

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClNO₂
Molecular Mass
283.7091
Exact Mass
283.04000625
Charge
0
InChI
InChI=1S/C16H10ClNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKey
GTLIZJUNIWMBJO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2Cl)c1ccccc1
Isomeric Smiles
n1c2c(c(cc1c1ccccc1)C(=O)O)cccc2Cl
Calculated Properties
JChem
Acid pKa
3.562348
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4936576
LogD (pH = 7.4)
1.0696958
Log P
4.425604
Molar Refractivity
76.8045
Polarizability
32.1366
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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