Molecule

ID:45291

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂ClNO
Molecular Mass
243.77288
Exact Mass
243.13899201
Charge
0
InChI
InChI=1S/C13H21NO.ClH/c1-11(2)8-10-15-13-6-4-3-5-12(13)7-9-14;/h3-6,11H,7-10,14H2,1-2H3;1H
InChIKey
UYSIBRPOHJPQFQ-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccccc1OCCC(C)C.Cl
Isomeric Smiles
c1(c(CCN)cccc1)OCCC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.16433395
LogD (pH = 7.4)
0.602819
Log P
2.8409224
Molar Refractivity
64.1718
Polarizability
25.375797
Polar Surface Area
35.25
Rotatable Bonds
6
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