Molecule

ID:116570

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂S
Molecular Mass
192.28068
Exact Mass
192.07211939
Charge
0
InChI
InChI=1S/C10H12N2S/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChIKey
UMIMRBZSSFFXQV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CSC1=NCCN1
Isomeric Smiles
C1(=NCCN1)SCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.033790257
LogD (pH = 7.4)
1.1835682
Log P
2.3639162
Molar Refractivity
56.9285
Polarizability
21.9195
Polar Surface Area
24.39
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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