3-[(E)-2-[2,4-dinitro-5-[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine

Formula:C20H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[2,4-dinitro-5-[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine is a drug-like molecule.

MolName	3-[(E)-2-[2,4-dinitro-5-[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
MolecularFormula	C20H14N4O4
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c2cnccc2)cc1/C=C/c1cnccc1)=O
InChI	InChI=1S/C20H14N4O4/c25-23(26)19-12-20(24(27)28)18(8-6-16-4-2-10-22-14-16)11-17(19)7-5-15-3-1-9-21-13-15/h1-14H
InChIK	JXNZSYXHHWKUQG-UHFFFAOYSA-N
TotalMolweight	374.355
Molweight	374.355
MonoisotopicMass	374.101506
CLogP	2.2286
CLogS	-5.218
H Acceptors	8
TotalSurfaceArea	290.64
Relative PSA	0.28482
PolarSurfaceArea	117.42
Druglikeness	-6.6608
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	13
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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