Molecule

ID:100997

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄
Molecular Mass
220.314
Exact Mass
220.16879666
Charge
0
InChI
InChI=1S/C12H20N4/c1-2-4-11-9-14-12(15-10-11)16-7-3-5-13-6-8-16/h9-10,13H,2-8H2,1H3
InChIKey
VCYGWMDVJHDLFT-UHFFFAOYSA-N
Canonic Smiles
CCCc1cnc(nc1)N1CCNCCC1
Isomeric Smiles
c1(N2CCCNCC2)ncc(cn1)CCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4118745
LogD (pH = 7.4)
-0.3279733
Log P
1.7631555
Molar Refractivity
66.9609
Polarizability
25.129631
Polar Surface Area
41.05
Rotatable Bonds
3
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