Molecule

ID:91897

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-7(12)11(2)9-5-3-4-8(10)6-9/h3-6H,1-2H3
InChIKey
WUOSYUHCXLQPQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)N(C(=O)C)C
Isomeric Smiles
N(c1cc(ccc1)Cl)(C)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6790669
LogD (pH = 7.4)
1.6790669
Log P
1.6790669
Molar Refractivity
48.8417
Polarizability
18.919966
Polar Surface Area
20.31
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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