Molecule

ID:26961

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
LNWWGHNQLOXRTF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCCc1ccccc1
Isomeric Smiles
C(=O)(NCCc1ccccc1)CCl
Calculated Properties
JChem
Acid pKa
13.356692
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7438658
LogD (pH = 7.4)
1.7438655
Log P
1.7438658
Molar Refractivity
53.4834
Polarizability
20.723902
Polar Surface Area
29.1
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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