Molecule

ID:51967

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈N₂OS₂
Molecular Mass
284.35612
Exact Mass
284.00780489
Charge
0
InChI
InChI=1S/C14H8N2OS2/c18-9-15-11-1-5-13(6-2-11)17-14-7-3-12(4-8-14)16-10-19/h1-8H
InChIKey
VFRHGFVMLLSTNS-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)Oc1ccc(cc1)N=C=S
Isomeric Smiles
O(c1ccc(cc1)N=C=S)c1ccc(cc1)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5171795
LogD (pH = 7.4)
5.5171833
Log P
5.5171833
Molar Refractivity
86.4246
Polarizability
32.070034
Polar Surface Area
33.95
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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