Molecule

ID:37841

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅ClN₂O₂
Molecular Mass
360.8777
Exact Mass
360.16045573
Charge
0
InChI
InChI=1S/C20H24N2O2.ClH/c1-15(2)20(23)22(18-6-4-3-5-7-18)14-16-8-9-19-17(12-16)13-21-10-11-24-19;/h3-9,12,15,21H,10-11,13-14H2,1-2H3;1H
InChIKey
GISGVCCBEQWTQY-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1ccccc1)Cc1ccc2c(c1)CNCCO2)C(C)C.Cl
Isomeric Smiles
c1(ccc2c(c1)CNCCO2)CN(c1ccccc1)C(=O)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.31834057
LogD (pH = 7.4)
1.8920854
Log P
3.27217
Molar Refractivity
95.5931
Polarizability
37.327957
Polar Surface Area
41.57
Rotatable Bonds
4
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