Molecule

ID:47279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-2-3-12-4-6-13(7-5-12)16-14-8-10-15-11-9-14;/h4-7,14-15H,2-3,8-11H2,1H3;1H
InChIKey
CNHYQPXOVMMYET-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)OC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Oc2ccc(cc2)CCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34550723
LogD (pH = 7.4)
0.49881133
Log P
2.8618915
Molar Refractivity
66.9208
Polarizability
26.481829
Polar Surface Area
21.26
Rotatable Bonds
4
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