(E)-3-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide

Formula:C10H8N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
MolecularFormula	C10H8N6O3
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2n[nH]nn2)=O)cc1)=O
InChI	InChI=1S/C10H8N6O3/c17-9(11-10-12-14-15-13-10)6-3-7-1-4-8(5-2-7)16(18)19/h1-6H,(H2,11,12,13,14,15,17)
InChIK	HBXVYZCIOWANNE-UHFFFAOYSA-N
TotalMolweight	260.213
Molweight	260.213
MonoisotopicMass	260.065789
CLogP	0.2076
CLogS	-3.366
H Acceptors	9
H Donors	2
TotalSurfaceArea	198.25
Relative PSA	0.51359
PolarSurfaceArea	129.38
Druglikeness	-8.2804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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