(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide

Formula:C26H19N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide
MolecularFormula	C26H19N3O8
Smiles	[O-][N+](c(ccc(NC(/C=C/c(cc1)cc2c1OCO2)=O)c1)c1NC(/C=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C26H19N3O8/c30-25(9-3-16-1-7-21-23(11-16)36-14-34-21)27-18-5-6-20(29(32)33)19(13-18)28-26(31)10-4-17-2-8-22-24(12-17)37-15-35-22/h1-13H,14-15H2,(H,27,30)(H,28,31)
InChIK	DVCAMDXZJZGFFR-UHFFFAOYSA-N
TotalMolweight	501.45
Molweight	501.45
MonoisotopicMass	501.117217
CLogP	3.9142
CLogS	-7.262
H Acceptors	11
H Donors	2
TotalSurfaceArea	368.39
Relative PSA	0.32417
PolarSurfaceArea	140.94
Druglikeness	-5.5317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide

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