(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-pyridin-3-ylprop-2-en-1-one

Formula:C21H13N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-pyridin-3-ylprop-2-en-1-one
MolecularFormula	C21H13N3O4
Smiles	[O-][N+](c1cc(/C=C(\C(c2cnccc2)=O)/c2nc(cccc3)c3o2)ccc1)=O
InChI	InChI=1S/C21H13N3O4/c25-20(15-6-4-10-22-13-15)17(12-14-5-3-7-16(11-14)24(26)27)21-23-18-8-1-2-9-19(18)28-21/h1-13H
InChIK	GWGAULNNTVKPCA-UHFFFAOYSA-N
TotalMolweight	371.351
Molweight	371.351
MonoisotopicMass	371.090607
CLogP	2.6194
CLogS	-4.591
H Acceptors	7
TotalSurfaceArea	280.72
Relative PSA	0.28324
PolarSurfaceArea	101.81
Druglikeness	-3.8849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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