Molecule

ID:47275

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-4-17(2,3)15-7-9-16(10-8-15)19-13-14-6-5-11-18-12-14;/h7-10,14,18H,4-6,11-13H2,1-3H3;1H
InChIKey
ULLXQNFEFRKTGK-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC1CCCNC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CNCCC2)cc1)(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.72922796
LogD (pH = 7.4)
1.3868152
Log P
3.9511151
Molar Refractivity
80.6637
Polarizability
32.019115
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