2-[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile

Formula:C18H12N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile is a drug-like molecule.

MolName	2-[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile
MolecularFormula	C18H12N3O3Cl
Smiles	N#CCOc(cc1)c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1Cl
InChI	InChI=1S/C18H12ClN3O3/c19-13-6-7-16(25-9-8-20)12(10-13)11-15-17(23)21-22(18(15)24)14-4-2-1-3-5-14/h1-7,10-11H,9H2,(H,21,23)
InChIK	QBFZAKSNRFMPBO-UHFFFAOYSA-N
TotalMolweight	353.764
Molweight	353.764
MonoisotopicMass	353.056719
CLogP	1.5315
CLogS	-4.092
H Acceptors	6
H Donors	1
TotalSurfaceArea	262.38
Relative PSA	0.2464
PolarSurfaceArea	82.43
Druglikeness	-0.42421
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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