Molecule

ID:91426

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-6-8(10)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
NALGTKRTIJHBBK-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)C)cccc1Cl
Isomeric Smiles
Clc1cccc(c1C)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.211304
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3284223
LogD (pH = 7.4)
2.328422
Log P
2.3284223
Molar Refractivity
50.767
Polarizability
18.845167
Polar Surface Area
29.1
Rotatable Bonds
1
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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