Molecule

ID:29471

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₂
Molecular Mass
333.85236
Exact Mass
333.14955669
Charge
0
InChI
InChI=1S/C19H24ClNO2/c1-15(2)10-12-22-17-7-5-6-16(14-17)21-11-13-23-19-9-4-3-8-18(19)20/h3-9,14-15,21H,10-13H2,1-2H3
InChIKey
ZLOHVXFRMOJGOK-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)NCCOc1ccccc1Cl)C
Isomeric Smiles
c1c(NCCOc2c(Cl)cccc2)cccc1OCCC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.1404133
LogD (pH = 7.4)
5.147277
Log P
5.147365
Molar Refractivity
96.4942
Polarizability
37.189037
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
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