(E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide

Formula:C19H12N3O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C19H12N3O3Br
Smiles	O=C(/C=C/c1ccco1)Nc(cc1)cc2c1oc(-c1cc(Br)cnc1)n2
InChI	InChI=1S/C19H12BrN3O3/c20-13-8-12(10-21-11-13)19-23-16-9-14(3-5-17(16)26-19)22-18(24)6-4-15-2-1-7-25-15/h1-11H,(H,22,24)
InChIK	DWVLOGZSQDOJST-UHFFFAOYSA-N
TotalMolweight	410.226
Molweight	410.226
MonoisotopicMass	409.006203
CLogP	3.7041
CLogS	-6.209
H Acceptors	6
H Donors	1
TotalSurfaceArea	278.62
Relative PSA	0.26796
PolarSurfaceArea	81.16
Druglikeness	-1.8767
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Amides	1
Aromatic Nitrogens	2
StereoCon

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