Molecule

ID:60540

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
CJRGXJCUQMDFFU-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)CCCl)cccc1C
Isomeric Smiles
c1(NC(=O)CCCl)c(c(ccc1)C)C
Calculated Properties
JChem
Acid pKa
14.319693
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0121555
LogD (pH = 7.4)
3.0121555
Log P
3.0121555
Molar Refractivity
60.456
Polarizability
22.397112
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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