Molecule

ID:26955

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey
SRAXAXHQMCQHSH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1ccccc1
Isomeric Smiles
C(=O)(NCc1ccccc1)CCl
Calculated Properties
JChem
Acid pKa
13.05064
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4552046
LogD (pH = 7.4)
1.4552038
Log P
1.4552046
Molar Refractivity
48.7284
Polarizability
18.88496
Polar Surface Area
29.1
Rotatable Bonds
3
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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