Molecule

ID:46501

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-13(2)15-8-3-4-9-16(15)18-12-10-14-7-5-6-11-17-14;/h3-4,8-9,13-14,17H,5-7,10-12H2,1-2H3;1H
InChIKey
ZINIPUWUNIHLDF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCC1CCCCN1)C.Cl
Isomeric Smiles
c1(c(OCCC2NCCCC2)cccc1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4407385
LogD (pH = 7.4)
1.0336411
Log P
3.666273
Molar Refractivity
76.114
Polarizability
30.175373
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