4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-1,2,4-triazolidine-3,5-dione

Formula:C11H10N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-1,2,4-triazolidine-3,5-dione is a drug-like molecule.

MolName4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-1,2,4-triazolidine-3,5-dione
MolecularFormulaC11H10N4O2
SmilesO=C(NNC1=O)N1/N=C\C=C/c1ccccc1
InChIInChI=1S/C11H10N4O2/c16-10-13-14-11(17)15(10)12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,16)(H,14,17)
InChIKLBXIVXGRTISQAB-UHFFFAOYSA-N
TotalMolweight230.226
Molweight230.226
MonoisotopicMass230.080376
CLogP0.0936
CLogS-3.576
H Acceptors6
H Donors2
TotalSurfaceArea179.74
Relative PSA0.3564
PolarSurfaceArea73.8
Druglikeness3.9602
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.64706
Fragments1
Non HAtoms17
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms5
StereoCon

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