Molecule

ID:74713

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄S
Molecular Mass
220.29408
Exact Mass
220.0782674
Charge
0
InChI
InChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChIKey
HFGUINASBGDWLY-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncnc2c1ccs2
Isomeric Smiles
s1c2c(c(ncn2)N2CCNCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4922528
LogD (pH = 7.4)
0.101686545
Log P
1.4597954
Molar Refractivity
61.5125
Polarizability
23.356983
Polar Surface Area
41.05
Rotatable Bonds
1
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