Molecule

ID:79951

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₆ClNO₂
Molecular Mass
406.00114
Exact Mass
405.24345708
Charge
0
InChI
InChI=1S/C24H35NO2.ClH/c26-22(16-25-8-2-1-3-9-25)17-27-23-6-4-21(5-7-23)24-13-18-10-19(14-24)12-20(11-18)15-24;/h4-7,18-20,22,26H,1-3,8-17H2;1H
InChIKey
XAAPDJDEQUCOGM-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCCCC1)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3.Cl
Isomeric Smiles
N1(CC(COc2ccc(cc2)C23CC4CC(C2)CC(C3)C4)O)CCCCC1.Cl
Calculated Properties
JChem
Acid pKa
14.07913
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2940073
LogD (pH = 7.4)
2.9568403
Log P
4.402892
Molar Refractivity
109.3529
Polarizability
43.317307
Polar Surface Area
32.7
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