Molecule

ID:46560

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-13-5-2-6-14(10-13)17-9-7-12-4-3-8-15-11-12;/h2,5-6,10,12,15H,3-4,7-9,11H2,1H3;1H
InChIKey
USXREGKEONRMSO-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2cc(OC)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0274912
LogD (pH = 7.4)
-0.6514412
Log P
2.206831
Molar Refractivity
68.5598
Polarizability
27.214481
Polar Surface Area
30.49
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