Molecule

ID:81641

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄S
Molecular Mass
237.23188
Exact Mass
237.00957871
Charge
0
InChI
InChI=1S/C10H7NO4S/c1-15-10(14)9-6(4-5-16-9)11-7(12)2-3-8(11)13/h2-5H,1H3
InChIKey
HPNPTFJOBHCYCJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2c(C(=O)OC)scc2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1620893
LogD (pH = 7.4)
1.16209
Log P
1.16209
Molar Refractivity
56.9409
Polarizability
21.25329
Polar Surface Area
63.68
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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