Molecule

ID:129391

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₄OS
Molecular Mass
286.35216
Exact Mass
286.08883209
Charge
0
InChI
InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
InChIKey
USFUFHFQWXDVMH-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C
Isomeric Smiles
c1c(C)nsc1NC(=O)Nc1ccc2n(C)ccc2c1
Calculated Properties
JChem
LogD (pH = 7.4)
2.39
LogD (pH = 5.5)
2.70
Log P
2.71
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.32
Polar Surface Area
58.95
Polarizability
28.95
Molar Refractivity
81.73
LOG S
-3.21
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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