(Z)-2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile

Formula:C15H8NBrCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (Z)-2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C15H8NBrCl2
Smiles	N#C/C(/c(cc1)ccc1Br)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C15H8BrCl2N/c16-13-4-1-10(2-5-13)12(9-19)7-11-3-6-14(17)8-15(11)18/h1-8H
InChIK	RWWJQPBYPWAAPY-UHFFFAOYSA-N
TotalMolweight	353.046
Molweight	353.046
MonoisotopicMass	350.921714
CLogP	5.2698
CLogS	-5.935
H Acceptors	1
TotalSurfaceArea	228.91
Relative PSA	0.059237
PolarSurfaceArea	23.79
Druglikeness	-6.7579
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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