(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide

Formula:C23H15N2O2BrCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide
MolecularFormula	C23H15N2O2BrCl2
Smiles	N#C/C(/C(Nc(cc(cc1)Cl)c1Cl)=O)=C\c(cc1)ccc1OCc(cc1)ccc1Br
InChI	InChI=1S/C23H15BrCl2N2O2/c24-18-5-1-16(2-6-18)14-30-20-8-3-15(4-9-20)11-17(13-27)23(29)28-22-12-19(25)7-10-21(22)26/h1-12H,14H2,(H,28,29)
InChIK	LYKCOUAYJZOSIP-UHFFFAOYSA-N
TotalMolweight	502.194
Molweight	502.194
MonoisotopicMass	499.969393
CLogP	6.2736
CLogS	-7.417
H Acceptors	4
H Donors	1
TotalSurfaceArea	341.64
Relative PSA	0.14067
PolarSurfaceArea	62.12
Druglikeness	-3.7028
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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