5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate

Formula:C17H10N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate is a drug-like molecule.

MolName	5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
MolecularFormula	C17H10N2O7
Smiles	[O-]C(c1cc(NC(/C=C/c2cccc([N+]([O-])=O)c2)=O)cc(C([O-])=O)c1)=O
InChI	InChI=1S/C17H12N2O7/c20-15(5-4-10-2-1-3-14(6-10)19(25)26)18-13-8-11(16(21)22)7-12(9-13)17(23)24/h1-9H,(H,18,20)(H,21,22)(H,23,24)/p-2
InChIK	JFSFSIGSOADOOS-UHFFFAOYSA-L
TotalMolweight	354.273
Molweight	354.273
MonoisotopicMass	354.048803
CLogP	-2.9671
CLogS	-3.984
H Acceptors	9
H Donors	1
TotalSurfaceArea	262.96
Relative PSA	0.41664
PolarSurfaceArea	155.18
Druglikeness	-5.3337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	5
Amides	1
AcidicOxygens	3
StereoCon

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