Molecule

ID:74627

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄S
Molecular Mass
234.32066
Exact Mass
234.09391747
Charge
0
InChI
InChI=1S/C11H14N4S/c1-3-12-4-6-15(5-1)10-9-2-7-16-11(9)14-8-13-10/h2,7-8,12H,1,3-6H2
InChIKey
BYVSVRKWGWNXLL-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1ncnc2c1ccs2
Isomeric Smiles
s1c2c(c(ncn2)N2CCCNCC2)cc1
Calculated Properties
JChem
Polar Surface Area
41.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6699119
LogD (pH = 7.4)
-0.6024284
Log P
1.5197551
Molar Refractivity
66.3779
Polarizability
25.19648
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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