Molecule

ID:72093

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14)
InChIKey
QYFFOECQCIFQMX-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1c(C)cccc1C)Cl
Isomeric Smiles
N(C(=O)C(Cl)C)c1c(cccc1C)C
Calculated Properties
JChem
Acid pKa
13.618776
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.343907
LogD (pH = 7.4)
3.3439069
Log P
3.343907
Molar Refractivity
60.2505
Polarizability
22.401209
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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