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

Formula:C31H22N3O6I Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C31H22N3O6I
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O
InChI	InChI=1S/C31H22IN3O6/c32-25-9-5-4-8-24(25)31(38)41-23-13-10-20(11-14-23)18-33-35-30(37)26(34-29(36)22-6-2-1-3-7-22)16-21-12-15-27-28(17-21)40-19-39-27/h1-18H,19H2,(H,34,36)(H,35,37)
InChIK	DOSYMQJMVWPTAQ-UHFFFAOYSA-N
TotalMolweight	659.431
Molweight	659.431
MonoisotopicMass	659.055335
CLogP	6.7973
CLogS	-8.663
H Acceptors	9
H Donors	2
TotalSurfaceArea	434.72
Relative PSA	0.2382
PolarSurfaceArea	115.32
Druglikeness	6.4983
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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1 - [4-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

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