Molecule

ID:72422

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c1-11-7-9-13(10-8-11)17-15(18)14(16)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,17,18)
InChIKey
GTGODNLPJFFPBB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)Cl)Nc1ccc(cc1)C
Isomeric Smiles
C(=O)(Nc1ccc(cc1)C)C(c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
13.433078
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1981506
LogD (pH = 7.4)
4.1981506
Log P
4.1981506
Molar Refractivity
75.0733
Polarizability
28.38054
Polar Surface Area
29.1
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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