(E)-3-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

Formula:C26H19N2O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C26H19N2O3Br
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c(cc(cc1)Br)c1OCc1cccc2ccccc12
InChI	InChI=1S/C26H19BrN2O3/c27-22-10-11-25(32-17-19-7-3-6-18-5-1-2-9-24(18)19)20(14-22)13-21(15-28)26(30)29-16-23-8-4-12-31-23/h1-14H,16-17H2,(H,29,30)
InChIK	BTNUUBMFLHWRNL-UHFFFAOYSA-N
TotalMolweight	487.352
Molweight	487.352
MonoisotopicMass	486.057904
CLogP	5.1541
CLogS	-7.049
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.85
Relative PSA	0.17821
PolarSurfaceArea	75.26
Druglikeness	-3.4551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Amides	1
StereoCon

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