[2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Formula:C26H17NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] (E)-3-(2-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] (E)-3-(2-nitrophenyl)prop-2-enoate
MolecularFormula	C26H17NO6
Smiles	[O-][N+](c1c(/C=C/C(Oc2c(/C=C/C(c3cc(cccc4)c4o3)=O)cccc2)=O)cccc1)=O
InChI	InChI=1S/C26H17NO6/c28-22(25-17-20-9-3-6-12-24(20)32-25)15-13-19-8-2-5-11-23(19)33-26(29)16-14-18-7-1-4-10-21(18)27(30)31/h1-17H
InChIK	LFWRPHQHEBULBX-UHFFFAOYSA-N
TotalMolweight	439.422
Molweight	439.422
MonoisotopicMass	439.105589
CLogP	4.6475
CLogS	-7.323
H Acceptors	7
TotalSurfaceArea	339.24
Relative PSA	0.23762
PolarSurfaceArea	102.33
Druglikeness	-6.743
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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1 - [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] (E)-3-(2-nitrophenyl)prop-2-enoate | 2 - [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] (E)-3-(2-nitrophenyl)prop-2-enoate

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