Molecule

ID:37805

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀FN₃O₃S
Molecular Mass
343.3323032
Exact Mass
343.04269042
Charge
0
InChI
InChI=1S/C16H10FN3O3S/c17-11-5-7-12(8-6-11)18-13(21)15-20-19-14(24-15)9-1-3-10(4-2-9)16(22)23/h1-8H,(H,18,21)(H,22,23)
InChIKey
RVXKFYPQIHUEPO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC(=O)c1nnc(s1)c1ccc(cc1)C(=O)O
Isomeric Smiles
s1c(nnc1C(=O)Nc1ccc(cc1)F)c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7703495
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3118519
LogD (pH = 7.4)
-0.23966445
Log P
3.0427766
Molar Refractivity
98.9741
Polarizability
32.253487
Polar Surface Area
92.18
Rotatable Bonds
4
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
Navigation
4-(5-{[(4-Fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)benzoic acid|4-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}benzoic acid|4-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}b... | Molfinder