(4Z)-4-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-(3-chlorophenyl)pyrazolidine-3,5-dione

Formula:C19H14N4O2Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (4Z)-4-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-(3-chlorophenyl)pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-(3-chlorophenyl)pyrazolidine-3,5-dione
MolecularFormula	C19H14N4O2Cl2
Smiles	O=C(/C(/C1=O)=C/c(cc2)ccc2N(CC2)N=C2Cl)NN1c1cccc(Cl)c1
InChI	InChI=1S/C19H14Cl2N4O2/c20-13-2-1-3-15(11-13)25-19(27)16(18(26)23-25)10-12-4-6-14(7-5-12)24-9-8-17(21)22-24/h1-7,10-11H,8-9H2,(H,23,26)
InChIK	DIPOQRMJQHHHPP-UHFFFAOYSA-N
TotalMolweight	401.252
Molweight	401.252
MonoisotopicMass	400.04938
CLogP	2.3352
CLogS	-3.7
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.62
Relative PSA	0.20081
PolarSurfaceArea	65.01
Druglikeness	5.6467
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; acyl-halogenide type
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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