(E)-2-cyano-3-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-phenylprop-2-enamide

Formula:C23H15N2O2Br2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-phenylprop-2-enamide
MolecularFormula	C23H15N2O2Br2Cl
Smiles	N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1Br)cc(Br)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C23H15Br2ClN2O2/c24-20-11-16(10-17(13-27)23(29)28-19-4-2-1-3-5-19)12-21(25)22(20)30-14-15-6-8-18(26)9-7-15/h1-12H,14H2,(H,28,29)
InChIK	FMAKUMDEHXIAII-UHFFFAOYSA-N
TotalMolweight	546.645
Molweight	546.645
MonoisotopicMass	543.918877
CLogP	6.3928
CLogS	-7.515
H Acceptors	4
H Donors	1
TotalSurfaceArea	344.85
Relative PSA	0.13936
PolarSurfaceArea	62.12
Druglikeness	-3.7028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
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	7
Amides	1
StereoCon

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