1-N,4-N-bis[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine

Formula:C22H16N8O4 Mutagenic:none Tumorigenic:high Reproductive Effective:high 1-N,4-N-bis[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine is not a drug-like molecule.

MolName	1-N,4-N-bis[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
MolecularFormula	C22H16N8O4
Smiles	[O-][N+](c1c(/C=N\Nc(c2ccccc22)nnc2N/N=C\c(cccc2)c2[N+]([O-])=O)cccc1)=O
InChI	InChI=1S/C22H16N8O4/c31-29(32)19-11-5-1-7-15(19)13-23-25-21-17-9-3-4-10-18(17)22(28-27-21)26-24-14-16-8-2-6-12-20(16)30(33)34/h1-14H,(H,25,27)(H,26,28)
InChIK	UAKRYNFGEAHMRE-UHFFFAOYSA-N
TotalMolweight	456.421
Molweight	456.421
MonoisotopicMass	456.129452
CLogP	6.2464
CLogS	-7.012
H Acceptors	12
H Donors	2
TotalSurfaceArea	344.68
Relative PSA	0.37345
PolarSurfaceArea	166.2
Druglikeness	-3.1321
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	17
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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