Molecule

ID:72337

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
BWNUNGKNWBDEHB-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N(c1ccccc1)c1ccccc1)Cl
Isomeric Smiles
C(=O)(N(c1ccccc1)c1ccccc1)C(Cl)C
Calculated Properties
JChem
Acid pKa
16.449781
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8390887
LogD (pH = 7.4)
3.8390887
Log P
3.8390887
Molar Refractivity
73.0616
Polarizability
28.443432
Polar Surface Area
20.31
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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