(4Z)-4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione

Formula:C20H18N3O2Cl2F Mutagenic:high Tumorigenic:high Reproductive Effective:high (4Z)-4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione
MolecularFormula	C20H18N3O2Cl2F
Smiles	O=C(/C(/C1=O)=C/c(cc2)ccc2N(CCCl)CCCl)NN1c(cc1)ccc1F
InChI	InChI=1S/C20H18Cl2FN3O2/c21-9-11-25(12-10-22)16-5-1-14(2-6-16)13-18-19(27)24-26(20(18)28)17-7-3-15(23)4-8-17/h1-8,13H,9-12H2,(H,24,27)
InChIK	FYYVEUWPLUELDT-UHFFFAOYSA-N
TotalMolweight	422.286
Molweight	422.286
MonoisotopicMass	421.076009
CLogP	2.612
CLogS	-4.642
H Acceptors	5
H Donors	1
TotalSurfaceArea	304.02
Relative PSA	0.14683
PolarSurfaceArea	52.65
Druglikeness	5.4943
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	7
Amines	1
Aromatic Amines	1
StereoCon

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