Molecule

ID:30956

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H15NO2.ClH/c14-12(15)11-6-2-1-5-10(11)9-13-7-3-4-8-13;/h1-2,5-6H,3-4,7-9H2,(H,14,15);1H
InChIKey
WXFZSSSEQJNWLY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1CN1CCCC1.Cl
Isomeric Smiles
C(=O)(c1c(CN2CCCC2)cccc1)O.Cl
Calculated Properties
JChem
Acid pKa
3.124955
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7538489
LogD (pH = 7.4)
-0.75569373
Log P
-0.7529049
Molar Refractivity
59.3979
Polarizability
22.650515
Polar Surface Area
40.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation