3-[(Z)-[[4-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]-4-nitrophenol

Formula:C22H16N8O6 Mutagenic:none Tumorigenic:high Reproductive Effective:high 3-[(Z)-[[4-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]-4-nitrophenol is not a drug-like molecule.

MolName	3-[(Z)-[[4-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]-4-nitrophenol
MolecularFormula	C22H16N8O6
Smiles	[O-][N+](c(cc1)c(/C=N\Nc(c2ccccc22)nnc2N/N=C\c(cc(cc2)O)c2[N+]([O-])=O)cc1O)=O
InChI	InChI=1S/C22H16N8O6/c31-15-5-7-19(29(33)34)13(9-15)11-23-25-21-17-3-1-2-4-18(17)22(28-27-21)26-24-12-14-10-16(32)6-8-20(14)30(35)36/h1-12,31-32H,(H,25,27)(H,26,28)
InChIK	NTRJOZTVAXZEPC-UHFFFAOYSA-N
TotalMolweight	488.419
Molweight	488.419
MonoisotopicMass	488.119282
CLogP	5.555
CLogS	-6.42
H Acceptors	14
H Donors	4
TotalSurfaceArea	357.38
Relative PSA	0.43349
PolarSurfaceArea	206.66
Druglikeness	-3.1684
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	18
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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