(4E)-4-[(3-chlorophenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one

Formula:C19H14N5OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (4E)-4-[(3-chlorophenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one is not a drug-like molecule.

MolName(4E)-4-[(3-chlorophenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one
MolecularFormulaC19H14N5OClS
SmilesC=C(/C(/C1=O)=N\Nc2cccc(Cl)c2)NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14ClN5OS/c1-12-17(23-22-15-9-5-8-14(20)10-15)18(26)25(24-12)19-21-16(11-27-19)13-6-3-2-4-7-13/h2-11,22,24H,1H2
InChIKFKQJKMUXONNIOG-UHFFFAOYSA-N
TotalMolweight395.873
Molweight395.873
MonoisotopicMass395.060757
CLogP5.1636
CLogS-5.269
H Acceptors6
H Donors2
TotalSurfaceArea286.09
Relative PSA0.28785
PolarSurfaceArea97.86
Druglikeness2.9586
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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