Molecule

ID:74659

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄S
Molecular Mass
234.32066
Exact Mass
234.09391747
Charge
0
InChI
InChI=1S/C11H14N4S/c1-8-6-16-11-9(8)10(13-7-14-11)15-4-2-12-3-5-15/h6-7,12H,2-5H2,1H3
InChIKey
BNBQFFKHNHLIKJ-UHFFFAOYSA-N
Canonic Smiles
Cc1csc2c1c(ncn2)N1CCNCC1
Isomeric Smiles
s1c2c(c(ncn2)N2CCNCC2)c(c1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.97455484
LogD (pH = 7.4)
0.6172914
Log P
1.9732168
Molar Refractivity
66.5537
Polarizability
25.112911
Polar Surface Area
41.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
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