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

Formula:C29H21N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C29H21N3O7
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1OC(c1ccco1)=O
InChI	InChI=1S/C29H21N3O7/c33-27(21-5-2-1-3-6-21)31-23(15-20-10-13-24-26(16-20)38-18-37-24)28(34)32-30-17-19-8-11-22(12-9-19)39-29(35)25-7-4-14-36-25/h1-17H,18H2,(H,31,33)(H,32,34)
InChIK	AUZOQRSXYLCAOT-UHFFFAOYSA-N
TotalMolweight	523.5
Molweight	523.5
MonoisotopicMass	523.137952
CLogP	5.5489
CLogS	-7.329
H Acceptors	10
H Donors	2
TotalSurfaceArea	398.13
Relative PSA	0.29553
PolarSurfaceArea	128.46
Druglikeness	5.917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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