{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Chemical Structure Depiction of
{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Available: 2 mg
Amount:
mg
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Compound characteristics

Compound ID: F235-1941
Compound Name: {[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Molecular Weight: 334.35
Molecular Formula: C14 H14 N4 O4 S
Smiles: CC(=C)Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCC(O)=O
Stereo: ACHIRAL
logP: 2.6348
logD: -0.6577
logSw: -2.755
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 86.278
InChI Key: BVHKEBYIBWWWRD-UHFFFAOYSA-N
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