Molecule

ID:16528

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c1-8(12-10(13)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKey
NCGMICUPYDDHPQ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NC(c1ccccc1)C
Isomeric Smiles
N(C(=O)CCl)C(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
12.158364
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8717796
LogD (pH = 7.4)
1.871773
Log P
1.8717797
Molar Refractivity
53.1472
Polarizability
20.721476
Polar Surface Area
29.1
Rotatable Bonds
3
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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