Molecule

ID:113174

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂S₂
Molecular Mass
286.41506
Exact Mass
286.05984046
Charge
0
InChI
InChI=1S/C15H14N2S2/c16-14-13(9-5-1-3-7-11(9)18-14)15-17-10-6-2-4-8-12(10)19-15/h2,4,6,8H,1,3,5,7,16H2
InChIKey
JFFSOOBVRATNTK-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(c1c1nc3c(s1)cccc3)CCCC2
Isomeric Smiles
c1(c2nc3c(s2)cccc3)c(sc2c1CCCC2)N
Calculated Properties
Provided by Enamine
CLogP
4.47
H Donor
1
Polar Surface Area
38.91
Rotatable Bonds
1
JChem
Log P
4.84
LogD (pH = 7.4)
4.84
LogD (pH = 5.5)
4.84
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Polar Surface Area
38.91
Molar Refractivity
90
Polarizability
31.48
Lipinski's Rule of Five
true
LOG S
-5.77
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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