Molecule

ID:47281

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-2-3-13-4-6-15(7-5-13)17-12-14-8-10-16-11-9-14;/h4-7,14,16H,2-3,8-12H2,1H3;1H
InChIKey
YABBGXNDTHCPMC-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)OCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COc2ccc(cc2)CCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.09107133
LogD (pH = 7.4)
0.5518421
Log P
3.3224921
Molar Refractivity
71.7388
Polarizability
28.328175
Polar Surface Area
21.26
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