[4-[(E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate

Formula:C20H13NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate is a drug-like molecule.

MolName	[4-[(E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate
MolecularFormula	C20H13NO7
Smiles	[O-][N+](c(cc1)cc(/C=C/C(c(cc2)ccc2OC(c2ccco2)=O)=O)c1O)=O
InChI	InChI=1S/C20H13NO7/c22-17(9-5-14-12-15(21(25)26)6-10-18(14)23)13-3-7-16(8-4-13)28-20(24)19-2-1-11-27-19/h1-12,23H
InChIK	MXQDVTRIWSYCHJ-UHFFFAOYSA-N
TotalMolweight	379.323
Molweight	379.323
MonoisotopicMass	379.069204
CLogP	2.6557
CLogS	-5.156
H Acceptors	8
H Donors	1
TotalSurfaceArea	284.49
Relative PSA	0.3294
PolarSurfaceArea	122.56
Druglikeness	-4.3297
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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