Molecule

ID:57775

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄N₂O₃S₂
Molecular Mass
370.44536
Exact Mass
370.04458432
Charge
0
InChI
InChI=1S/C18H14N2O3S2/c21-14-9-7-13(8-10-14)20(12-15-4-3-11-24-15)18-16-5-1-2-6-17(16)25(22,23)19-18/h1-11,21H,12H2
InChIKey
ITVIBROJBZXXFF-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)Cc1cccs1
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)N(Cc1sccc1)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.786627
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.75528
LogD (pH = 7.4)
3.7535675
Log P
3.7553382
Molar Refractivity
98.4247
Polarizability
37.72436
Polar Surface Area
69.97
Rotatable Bonds
3
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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