Molecule

ID:25188

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃S
Molecular Mass
151.189
Exact Mass
151.02041818
Charge
0
InChI
InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChIKey
JRJPKRSKPOCUEV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nsn2
Isomeric Smiles
c12c(nsn1)ccc(c2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2876574
LogD (pH = 7.4)
1.2879453
Log P
1.287949
Molar Refractivity
41.2408
Polarizability
15.919481
Polar Surface Area
51.8
Rotatable Bonds
0
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