Molecule

ID:43290

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄S
Molecular Mass
218.2782
Exact Mass
218.06261734
Charge
0
InChI
InChI=1S/C10H10N4S/c11-6-3-7-14(12)10-13-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,7,12H2
InChIKey
CSGRBQHJJOBWPO-UHFFFAOYSA-N
Canonic Smiles
N#CCCN(c1nc2c(s1)cccc2)N
Isomeric Smiles
c1ccc2c(c1)sc(n2)N(CCC#N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0089748
LogD (pH = 7.4)
2.0092223
Log P
2.0092254
Molar Refractivity
69.8773
Polarizability
23.544083
Polar Surface Area
65.94
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