Molecule

ID:44249

General Information
Structure
Molecular Formula
C₁₄H₁₀FN₃S
Molecular Mass
271.3127032
Exact Mass
271.05794656
Charge
0
InChI
InChI=1S/C14H10FN3S/c15-11-6-8-12(9-7-11)18-13(16-17-14(18)19)10-4-2-1-3-5-10/h1-9H,(H,17,19)
InChIKey
SSGDCXIFWBJODP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1c(S)nnc1c1ccccc1
Isomeric Smiles
n1(c(nnc1S)c1ccccc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
7.6601334
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2694545
LogD (pH = 7.4)
3.088891
Log P
3.2724
Molar Refractivity
97.0237
Polarizability
29.519156
Polar Surface Area
30.71
Rotatable Bonds
2
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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