Molecule

ID:40719

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FN₅S
Molecular Mass
275.3047032
Exact Mass
275.06409457
Charge
0
InChI
InChI=1S/C12H10FN5S/c1-19-12-16-11-15-6-9(10(14)18(11)17-12)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKey
MXUFDVCCIDBVGV-UHFFFAOYSA-N
Canonic Smiles
CSc1nn2c(n1)ncc(c2N)c1ccc(cc1)F
Isomeric Smiles
n12c(nc(n2)SC)ncc(c1N)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5698476
LogD (pH = 7.4)
2.569848
Log P
2.569848
Molar Refractivity
85.6161
Polarizability
28.176075
Polar Surface Area
69.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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