Molecule

ID:11174

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S
Molecular Mass
190.2648
Exact Mass
190.05646933
Charge
0
InChI
InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKey
CPHZPWZSSBCSAH-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1csc(n1)C
Isomeric Smiles
n1c(csc1C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9512564
LogD (pH = 7.4)
1.9591515
Log P
1.9592531
Molar Refractivity
55.1717
Polarizability
21.96319
Polar Surface Area
38.91
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
References
Bioactivity
Navigation