Molecule

ID:31748

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃S
Molecular Mass
191.25286
Exact Mass
191.0517183
Charge
0
InChI
InChI=1S/C9H9N3S/c1-6-2-3-7(4-8(6)10)9-5-13-12-11-9/h2-5H,10H2,1H3
InChIKey
QGISCGZTWJRHGX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1N)c1csnn1
Isomeric Smiles
n1nc(c2cc(c(cc2)C)N)cs1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2770016
LogD (pH = 7.4)
2.2795224
Log P
2.2795546
Molar Refractivity
54.8618
Polarizability
21.106945
Polar Surface Area
51.8
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