Molecule

ID:84734

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₃S
Molecular Mass
286.3058
Exact Mass
286.04121319
Charge
0
InChI
InChI=1S/C14H10N2O3S/c17-13-10-5-1-2-6-11(10)14(18)15(13)9-20-12-7-3-4-8-16(12)19/h1-8H,9H2
InChIKey
RWYGVXBEFBSLDB-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccccc1SCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CSc1[n+](cccc1)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1214422
LogD (pH = 7.4)
1.1214428
Log P
1.1214429
Molar Refractivity
76.9577
Polarizability
28.236382
Polar Surface Area
62.84
Rotatable Bonds
3
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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