Molecule

ID:46760

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO₂
Molecular Mass
313.86272
Exact Mass
313.18085682
Charge
0
InChI
InChI=1S/C17H27NO2.ClH/c1-3-5-14-7-8-16(17(12-14)19-2)20-11-9-15-6-4-10-18-13-15;/h7-8,12,15,18H,3-6,9-11,13H2,1-2H3;1H
InChIKey
RNWDXLDUPAFHGE-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(c(c1)OC)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)CCC)OCCC1CNCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37506744
LogD (pH = 7.4)
0.7511175
Log P
3.6093895
Molar Refractivity
82.803
Polarizability
32.669323
Polar Surface Area
30.49
Rotatable Bonds
7
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