Molecule

ID:48076

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁Cl₂N₃
Molecular Mass
360.36484
Exact Mass
359.18950337
Charge
0
InChI
InChI=1S/C18H29N3.2ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-9-18-8-4-5-10-19-18;;/h1-3,6-7,18-19H,4-5,8-16H2;2*1H
InChIKey
WAHPDURLGCSMDH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCN(CCC2NCCCC2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5320947
LogD (pH = 7.4)
-1.3957628
Log P
2.3674517
Molar Refractivity
90.0528
Polarizability
35.60941
Polar Surface Area
18.51
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