Molecule

ID:84221

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂S₂
Molecular Mass
302.3714
Exact Mass
302.01836957
Charge
0
InChI
InChI=1S/C14H10N2O2S2/c17-10(9-19-11-5-1-3-7-15-11)13-14(18)16-8-4-2-6-12(16)20-13/h1-8H,9H2
InChIKey
OIFJZPPNSHCZDR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1sc2[n+](c1[O-])cccc2)CSc1ccccn1
Isomeric Smiles
[n+]12c(cccc1)sc(c2[O-])C(=O)CSc1ccccn1
Calculated Properties
JChem
Acid pKa
2.4008398
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9359133
LogD (pH = 7.4)
3.9391925
Log P
3.3537164
Molar Refractivity
91.0474
Polarizability
30.321922
Polar Surface Area
57.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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