Molecule

ID:27050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKey
SMINYPCTNJDYGK-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1c(C)cccc1CC
Isomeric Smiles
c1(NC(=O)CCl)c(cccc1CC)C
Calculated Properties
JChem
Acid pKa
13.693582
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2197115
LogD (pH = 7.4)
3.2197113
Log P
3.2197115
Molar Refractivity
60.3576
Polarizability
22.399492
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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