(E)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide

Formula:C26H17N3O4 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C26H17N3O4
Smiles	[O-][N+](c1cc(/C=C/C(Nc(cc2)cc3c2oc(-c2cccc4ccccc24)n3)=O)ccc1)=O
InChI	InChI=1S/C26H17N3O4/c30-25(14-11-17-5-3-8-20(15-17)29(31)32)27-19-12-13-24-23(16-19)28-26(33-24)22-10-4-7-18-6-1-2-9-21(18)22/h1-16H,(H,27,30)
InChIK	CNLVCVYTYSJHEP-UHFFFAOYSA-N
TotalMolweight	435.438
Molweight	435.438
MonoisotopicMass	435.121907
CLogP	5.0639
CLogS	-8.554
H Acceptors	7
H Donors	1
TotalSurfaceArea	329.81
Relative PSA	0.24256
PolarSurfaceArea	100.95
Druglikeness	-5.1718
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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