Molecule

ID:86197

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c1-10-9-11(2)17-14(10)7-8-15(18)12-3-5-13(16)6-4-12/h3-9,17H,1-2H3
InChIKey
ULIJCJZXTGRXCH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1[nH]c(cc1C)C
Isomeric Smiles
[nH]1c(c(cc1C)C)/C=C/C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
17.567728
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2072377
LogD (pH = 7.4)
4.2072377
Log P
4.2072377
Molar Refractivity
76.509
Polarizability
28.429031
Polar Surface Area
32.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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