(Z)-3-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)prop-2-enenitrile

Formula:C17H10N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)prop-2-enenitrile
MolecularFormula	C17H10N3OCl
Smiles	N#C/C(/C(c1c2cccc1)=NNC2=O)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C17H10ClN3O/c18-13-7-5-11(6-8-13)9-12(10-19)16-14-3-1-2-4-15(14)17(22)21-20-16/h1-9H,(H,21,22)
InChIK	MEGARLQPBAEZEK-UHFFFAOYSA-N
TotalMolweight	307.739
Molweight	307.739
MonoisotopicMass	307.051239
CLogP	3.6967
CLogS	-5.543
H Acceptors	4
H Donors	1
TotalSurfaceArea	233.54
Relative PSA	0.21225
PolarSurfaceArea	65.25
Druglikeness	-0.55868
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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