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

Formula:C19H15N5O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (4E)-4-[(2-hydroxyphenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one is a drug-like molecule.

MolName(4E)-4-[(2-hydroxyphenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one
MolecularFormulaC19H15N5O2S
SmilesC=C(/C(/C1=O)=N\Nc(cccc2)c2O)NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N5O2S/c1-12-17(22-21-14-9-5-6-10-16(14)25)18(26)24(23-12)19-20-15(11-27-19)13-7-3-2-4-8-13/h2-11,21,23,25H,1H2
InChIKRQSIXYDUGUFUBT-UHFFFAOYSA-N
TotalMolweight377.427
Molweight377.427
MonoisotopicMass377.094645
CLogP4.2119
CLogS-4.237
H Acceptors7
H Donors3
TotalSurfaceArea277.02
Relative PSA0.34456
PolarSurfaceArea118.09
Druglikeness2.9168
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
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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