Molecule

ID:115289

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₄S
Molecular Mass
270.35276
Exact Mass
270.09391747
Charge
0
InChI
InChI=1S/C14H14N4S/c1-9-3-5-11(6-4-9)12-8-19-14(16-12)18-13(15)7-10(2)17-18/h3-8H,15H2,1-2H3
InChIKey
JLXBBNUOGILOHV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1csc(n1)n1nc(cc1N)C
Isomeric Smiles
n1(c2nc(cs2)c2ccc(cc2)C)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.334292
LogD (pH = 7.4)
3.3402627
Log P
3.3403394
Molar Refractivity
77.452
Polarizability
30.1276
Polar Surface Area
56.73
Rotatable Bonds
2
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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