Molecule

ID:19579

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H16ClNO2/c13-10-5-3-6-11(14)12(10)16-8-9-4-1-2-7-15-9/h3,5-6,9H,1-2,4,7-8,14H2
InChIKey
LQSKRGNJICEUBA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCC1CCCCO1)Cl
Isomeric Smiles
c1(OCC2OCCCC2)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4472017
LogD (pH = 7.4)
2.4537666
Log P
2.453851
Molar Refractivity
64.8821
Polarizability
25.059172
Polar Surface Area
44.48
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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