(E)-3-[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C16H10NOBrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:low (E)-3-[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H10NOBrCl2
Smiles	N#C/C=C/c(cc(cc1)Br)c1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C16H10BrCl2NO/c17-13-4-6-16(12(9-13)2-1-7-20)21-10-11-3-5-14(18)15(19)8-11/h1-6,8-9H,10H2
InChIK	CKHMHKDPMAYYPS-UHFFFAOYSA-N
TotalMolweight	383.071
Molweight	383.071
MonoisotopicMass	380.932279
CLogP	5.2811
CLogS	-6.319
H Acceptors	2
TotalSurfaceArea	254.46
Relative PSA	0.092588
PolarSurfaceArea	33.02
Druglikeness	-7.5862
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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