Molecule

ID:16573

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H12ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2
InChIKey
CTCLPENRFAHENT-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCCc2c1cccc2
Isomeric Smiles
c12N(CCCc1cccc2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
16.78486
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0968232
LogD (pH = 7.4)
2.0968232
Log P
2.0968232
Molar Refractivity
56.7007
Polarizability
21.824764
Polar Surface Area
20.31
Rotatable Bonds
1
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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