(E)-3-(5-nitrothiophen-2-yl)-1-[5-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]pyridin-3-yl]prop-2-en-1-one

Formula:C19H11N3O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-nitrothiophen-2-yl)-1-[5-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]pyridin-3-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-nitrothiophen-2-yl)-1-[5-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]pyridin-3-yl]prop-2-en-1-one
MolecularFormula	C19H11N3O6S2
Smiles	[O-][N+](c1ccc(/C=C/C(c2cc(C(/C=C/c3ccc([N+]([O-])=O)s3)=O)cnc2)=O)s1)=O
InChI	InChI=1S/C19H11N3O6S2/c23-16(5-1-14-3-7-18(29-14)21(25)26)12-9-13(11-20-10-12)17(24)6-2-15-4-8-19(30-15)22(27)28/h1-11H
InChIK	XZKCYPWAPBAFOJ-UHFFFAOYSA-N
TotalMolweight	441.443
Molweight	441.443
MonoisotopicMass	441.008927
CLogP	2.2163
CLogS	-6.509
H Acceptors	9
TotalSurfaceArea	319.26
Relative PSA	0.43416
PolarSurfaceArea	195.15
Druglikeness	-3.0725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	14
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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1 - (E)-3-(5-nitrothiophen-2-yl)-1-[5-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]pyridin-3-yl]prop-2-en-1-one | 2 - (E)-3-(5-nitrothiophen-2-yl)-1-[5-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]pyridin-3-yl]prop-2-en-1-one

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