Molecule

ID:46541

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-2-7-14-8-3-4-10-16(14)18-13-11-15-9-5-6-12-17-15;/h3-4,8,10,15,17H,2,5-7,9,11-13H2,1H3;1H
InChIKey
WHJKYULLDNQIND-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2c(CCC)cccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.59828806
LogD (pH = 7.4)
1.1911907
Log P
3.8238227
Molar Refractivity
76.1664
Polarizability
30.176037
Polar Surface Area
21.26
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