[2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate

Formula:C31H22N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate
MolecularFormula	C31H22N4O8
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)cc3c2OCO3)=O)c1OC(c1ccccc1)=O)=O
InChI	InChI=1S/C31H22N4O8/c36-29(21-7-3-1-4-8-21)33-25(15-20-11-13-27-28(16-20)42-19-41-27)30(37)34-32-18-23-17-24(35(39)40)12-14-26(23)43-31(38)22-9-5-2-6-10-22/h1-18H,19H2,(H,33,36)(H,34,37)
InChIK	IKVGIIKXRIIRSG-UHFFFAOYSA-N
TotalMolweight	578.536
Molweight	578.536
MonoisotopicMass	578.143766
CLogP	5.4386
CLogS	-8.107
H Acceptors	12
H Donors	2
TotalSurfaceArea	432.11
Relative PSA	0.31004
PolarSurfaceArea	161.14
Druglikeness	1.087
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.44186
Fragments	1
Non HAtoms	43
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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