Molecule

ID:37373

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₂S₂
Molecular Mass
287.35676
Exact Mass
287.00747053
Charge
0
InChI
InChI=1S/C14H9NO2S2/c16-11-6-5-8-3-1-2-4-9(8)10(11)7-12-13(17)15-14(18)19-12/h1-7,16H,(H,15,17,18)/b12-7+
InChIKey
FCDWTZXDSQZIES-KPKJPENVSA-N
Canonic Smiles
SC1=NC(=O)/C(=C\c2c(O)ccc3c2cccc3)/S1
Isomeric Smiles
C\1(=C/c2c3c(ccc2O)cccc3)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.973104
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3011968
LogD (pH = 7.4)
2.4089813
Log P
3.4168856
Molar Refractivity
81.1008
Polarizability
31.90528
Polar Surface Area
49.66
Rotatable Bonds
1
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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