Molecule

ID:123853

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₂
Molecular Mass
267.75122
Exact Mass
267.1026065
Charge
0
InChI
InChI=1S/C14H17NO2.ClH/c1-15-9-12(16)10-17-14-8-4-6-11-5-2-3-7-13(11)14;/h2-8,12,15-16H,9-10H2,1H3;1H
InChIKey
QIGWWFPODGZYSB-UHFFFAOYSA-N
Canonic Smiles
CNCC(COc1cccc2c1cccc2)O.Cl
Isomeric Smiles
c12c(OCC(O)CNC)cccc1cccc2.Cl
Calculated Properties
JChem
Acid pKa
14.088817
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3615762
LogD (pH = 7.4)
-0.26108965
Log P
1.810313
Molar Refractivity
67.6583
Polarizability
28.0723
Polar Surface Area
41.49
Rotatable Bonds
5
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