(E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C21H13N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C21H13N4O4Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc(cc2)cc(-c3nc(nccc4)c4o3)c2Cl)=O)c1)=O
InChI	InChI=1S/C21H13ClN4O4/c22-17-8-7-14(12-16(17)21-25-20-18(30-21)5-2-10-23-20)24-19(27)9-6-13-3-1-4-15(11-13)26(28)29/h1-12H,(H,24,27)
InChIK	JYXIAMJEIQMMMF-UHFFFAOYSA-N
TotalMolweight	420.811
Molweight	420.811
MonoisotopicMass	420.062533
CLogP	3.7575
CLogS	-7.734
H Acceptors	8
H Donors	1
TotalSurfaceArea	309.39
Relative PSA	0.29403
PolarSurfaceArea	113.84
Druglikeness	-5.0825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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