Molecule

ID:37729

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FN₃O₃S
Molecular Mass
295.2895032
Exact Mass
295.04269042
Charge
0
InChI
InChI=1S/C12H10FN3O3S/c13-7-1-3-8(4-2-7)14-11(19)12-16-15-9(20-12)5-6-10(17)18/h1-4H,5-6H2,(H,14,19)(H,17,18)
InChIKey
NSDRMXQRVFTZPH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1nnc(s1)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
s1c(nnc1C(=O)Nc1ccc(cc1)F)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.1559553
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.0103903
LogD (pH = 7.4)
-2.157519
Log P
1.308351
Molar Refractivity
71.9503
Polarizability
25.830967
Polar Surface Area
92.18
Rotatable Bonds
5
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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