2-[3-[(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenoxy]acetonitrile

Formula:C18H11N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenoxy]acetonitrile is a drug-like molecule.

MolName	2-[3-[(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenoxy]acetonitrile
MolecularFormula	C18H11N3O3Cl2
Smiles	N#CCOc1cccc(/C=C(\C(NN2c(cc3)cc(Cl)c3Cl)=O)/C2=O)c1
InChI	InChI=1S/C18H11Cl2N3O3/c19-15-5-4-12(10-16(15)20)23-18(25)14(17(24)22-23)9-11-2-1-3-13(8-11)26-7-6-21/h1-5,8-10H,7H2,(H,22,24)
InChIK	ONDWITWIULYQFS-UHFFFAOYSA-N
TotalMolweight	388.209
Molweight	388.209
MonoisotopicMass	387.017746
CLogP	2.1375
CLogS	-4.828
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.8
Relative PSA	0.23272
PolarSurfaceArea	82.43
Druglikeness	-0.42421
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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