(E)-3-(2-nitrophenyl)-2-(4-nitrophenyl)prop-2-enoic acid

Formula:C15H10N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(2-nitrophenyl)-2-(4-nitrophenyl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(2-nitrophenyl)-2-(4-nitrophenyl)prop-2-enoic acid
MolecularFormula	C15H10N2O6
Smiles	[O-][N+](c(cc1)ccc1/C(/C(O)=O)=C\c(cccc1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C15H10N2O6/c18-15(19)13(10-5-7-12(8-6-10)16(20)21)9-11-3-1-2-4-14(11)17(22)23/h1-9H,(H,18,19)
InChIK	OSOBTAGEUNLROY-UHFFFAOYSA-N
TotalMolweight	314.252
Molweight	314.252
MonoisotopicMass	314.053888
CLogP	0.9675
CLogS	-3.876
H Acceptors	8
H Donors	1
TotalSurfaceArea	229.17
Relative PSA	0.37954
PolarSurfaceArea	128.94
Druglikeness	-4.7768
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	3
StereoCon

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