Molecule

ID:27498

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO₂
Molecular Mass
273.71428
Exact Mass
273.05565631
Charge
0
InChI
InChI=1S/C15H12ClNO2/c1-10(18)11-5-4-6-12(9-11)17-15(19)13-7-2-3-8-14(13)16/h2-9H,1H3,(H,17,19)
InChIKey
ZONNVJGZQKZEGK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1Cl)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(c1c(Cl)cccc1)Nc1cc(C(=O)C)ccc1
Calculated Properties
JChem
Acid pKa
10.494399
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2268186
LogD (pH = 7.4)
3.226491
Log P
3.2268229
Molar Refractivity
76.7991
Polarizability
28.554037
Polar Surface Area
46.17
Rotatable Bonds
3
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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