Molecule

ID:18947

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
UAXPAYVQIXNSHW-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)CCl)cccc1C
Isomeric Smiles
c1(NC(=O)CCl)c(c(ccc1)C)C
Calculated Properties
JChem
Acid pKa
13.6283865
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7751427
LogD (pH = 7.4)
2.7751424
Log P
2.7751427
Molar Refractivity
55.7566
Polarizability
20.562141
Polar Surface Area
29.1
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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