(E)-3-[5-[(E)-2-carboxy-2-phenylethenyl]-2,4-dinitrophenyl]-2-phenylprop-2-enoic acid

Formula:C24H16N2O8 Mutagenic:none Tumorigenic:low Reproductive Effective:high (E)-3-[5-[(E)-2-carboxy-2-phenylethenyl]-2,4-dinitrophenyl]-2-phenylprop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[5-[(E)-2-carboxy-2-phenylethenyl]-2,4-dinitrophenyl]-2-phenylprop-2-enoic acid
MolecularFormula	C24H16N2O8
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C(/C(O)=O)\c2ccccc2)cc1/C=C(/C(O)=O)\c1ccccc1)=O
InChI	InChI=1S/C24H16N2O8/c27-23(28)19(15-7-3-1-4-8-15)12-17-11-18(22(26(33)34)14-21(17)25(31)32)13-20(24(29)30)16-9-5-2-6-10-16/h1-14H,(H,27,28)(H,29,30)
InChIK	CMCSGZKHQGITQU-UHFFFAOYSA-N
TotalMolweight	460.397
Molweight	460.397
MonoisotopicMass	460.090668
CLogP	2.1186
CLogS	-5.216
H Acceptors	10
H Donors	2
TotalSurfaceArea	337.74
Relative PSA	0.33493
PolarSurfaceArea	166.24
Druglikeness	-4.7768
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	18
AcidicOxygens	4
StereoCon

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