Molecule

ID:16554

General Information
Structure
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
VUOFGWLJEBESHL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(c1ccccc1)C
Isomeric Smiles
N(C(=O)CCl)(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
16.813631
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6123661
LogD (pH = 7.4)
1.6123661
Log P
1.6123661
Molar Refractivity
48.7901
Polarizability
18.875555
Polar Surface Area
20.31
Rotatable Bonds
2
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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