Molecule

ID:112406

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO
Molecular Mass
245.70418
Exact Mass
245.06074169
Charge
0
InChI
InChI=1S/C14H12ClNO/c1-10-6-7-12(15)8-13(10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3
InChIKey
XIMATYDWNQNCNW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)/N=C/c1ccccc1O)C
Isomeric Smiles
Cc1ccc(Cl)cc1/N=C/c1ccccc1O
Calculated Properties
JChem
Acid pKa
8.83281
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6611204
LogD (pH = 7.4)
4.645767
Log P
4.6614075
Molar Refractivity
73.2145
Polarizability
26.690592
Polar Surface Area
32.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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