Molecule

ID:113959

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃S
Molecular Mass
262.2844
Exact Mass
262.04121319
Charge
0
InChI
InChI=1S/C12H10N2O3S/c1-17-11(16)8-4-2-7(3-5-8)6-9-10(15)14-12(13)18-9/h2-6H,1H3,(H2,13,14,15)/b9-6-
InChIKey
RVPDAFREEZSBDU-TWGQIWQCSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)/C=C/1\SC(=NC1=O)N
Isomeric Smiles
N1=C(S/C(=C\c2ccc(C(=O)OC)cc2)/C1=O)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4711595
LogD (pH = 7.4)
1.4711608
Log P
1.4711608
Molar Refractivity
70.2255
Polarizability
26.277754
Polar Surface Area
81.75
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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