Molecule

ID:15751

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂Cl₃N₃
Molecular Mass
396.82578
Exact Mass
395.16618108
Charge
0
InChI
InChI=1S/C18H29N3.3ClH/c19-14-16-6-12-21(13-7-16)18-8-10-20(11-9-18)15-17-4-2-1-3-5-17;;;/h1-5,16,18H,6-15,19H2;3*1H
InChIKey
GVKCMXYEQYUOSF-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)C1CCN(CC1)Cc1ccccc1.Cl.Cl.Cl
Isomeric Smiles
C1C(CCN(C1)C1CCN(CC1)Cc1ccccc1)CN.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.5304685
LogD (pH = 7.4)
-3.7250347
Log P
1.6132272
Molar Refractivity
90.2516
Polarizability
35.60941
Polar Surface Area
32.5
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