2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole

Formula:C19H12N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is a drug-like molecule.

MolName	2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
MolecularFormula	C19H12N2O4
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C/c2nc(cccc3)c3o2)o1)=O
InChI	InChI=1S/C19H12N2O4/c22-21(23)14-7-5-13(6-8-14)17-11-9-15(24-17)10-12-19-20-16-3-1-2-4-18(16)25-19/h1-12H
InChIK	OOPIBQNKYVJHIS-UHFFFAOYSA-N
TotalMolweight	332.314
Molweight	332.314
MonoisotopicMass	332.079708
CLogP	3.7852
CLogS	-5.801
H Acceptors	6
TotalSurfaceArea	255.69
Relative PSA	0.27224
PolarSurfaceArea	84.99
Druglikeness	-3.9857
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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