Molecule

ID:82295

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆ClNO
Molecular Mass
285.76804
Exact Mass
285.09204182
Charge
0
InChI
InChI=1S/C17H16ClNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,1-2H3
InChIKey
WUXTYVHXWDGPIQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
N(c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)Cl)(C)C
Calculated Properties
JChem
Acid pKa
17.322838
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.534421
LogD (pH = 7.4)
4.601488
Log P
4.6024137
Molar Refractivity
86.1104
Polarizability
32.023182
Polar Surface Area
20.31
Rotatable Bonds
4
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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