(E)-N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyanoprop-2-enamide

Formula:C23H15N2O2Br2F Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyanoprop-2-enamide
MolecularFormula	C23H15N2O2Br2F
Smiles	N#C/C(/C(Nc(ccc(Br)c1)c1F)=O)=C\c(cc(cc1)Br)c1OCc1ccccc1
InChI	InChI=1S/C23H15Br2FN2O2/c24-18-7-9-22(30-14-15-4-2-1-3-5-15)16(11-18)10-17(13-27)23(29)28-21-8-6-19(25)12-20(21)26/h1-12H,14H2,(H,28,29)
InChIK	OWQLABZOIXJGHM-UHFFFAOYSA-N
TotalMolweight	530.19
Molweight	530.19
MonoisotopicMass	527.948428
CLogP	5.8876
CLogS	-7.093
H Acceptors	4
H Donors	1
TotalSurfaceArea	335.78
Relative PSA	0.14313
PolarSurfaceArea	62.12
Druglikeness	-5.1136
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
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	2
Amides	1
StereoCon

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