[3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C32H23N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C32H23N3O8
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cccc(OC(c(cc2)cc3c2OCO3)=O)c1
InChI	InChI=1S/C32H23N3O8/c36-30(22-6-2-1-3-7-22)34-25(14-20-9-11-26-28(15-20)41-18-39-26)31(37)35-33-17-21-5-4-8-24(13-21)43-32(38)23-10-12-27-29(16-23)42-19-40-27/h1-17H,18-19H2,(H,34,36)(H,35,37)
InChIK	GXVDADUPCVBOIN-UHFFFAOYSA-N
TotalMolweight	577.548
Molweight	577.548
MonoisotopicMass	577.148517
CLogP	6.4716
CLogS	-8.358
H Acceptors	11
H Donors	2
TotalSurfaceArea	428.7
Relative PSA	0.2882
PolarSurfaceArea	133.78
Druglikeness	6.1054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48837
Fragments	1
Non HAtoms	43
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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1 - [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

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