Molecule

ID:32193

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO
Molecular Mass
237.72524
Exact Mass
237.09204182
Charge
0
InChI
InChI=1S/C13H15NO.ClH/c1-15-13-7-6-10-4-2-3-5-11(10)12(13)8-9-14;/h2-7H,8-9,14H2,1H3;1H
InChIKey
VICYBFXTDOLALA-UHFFFAOYSA-N
Canonic Smiles
NCCc1c(OC)ccc2c1cccc2.Cl
Isomeric Smiles
c1(c2c(ccc1OC)cccc2)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7835122
LogD (pH = 7.4)
0.010857056
Log P
2.219481
Molar Refractivity
62.1998
Polarizability
25.584583
Polar Surface Area
35.25
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