Molecule
ID:34109
General Information
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey
STBWCKBWDMKXIW-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(=O)NC
Isomeric Smiles
c1(ccc(cc1)C(=O)NC)CCl
Calculated Properties
JChem
Acid pKa
14.850662
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.634804
LogD (pH = 7.4)
1.6348042
Log P
1.6348042
Molar Refractivity
49.9
Polarizability
18.669067
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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