N-[(Z)-(2,4-diphenylphthalazin-1-ylidene)amino]-2,4-dinitroaniline

Formula:C26H18N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-diphenylphthalazin-1-ylidene)amino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-(2,4-diphenylphthalazin-1-ylidene)amino]-2,4-dinitroaniline
MolecularFormula	C26H18N6O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C1\N(c2ccccc2)N=C(c2ccccc2)c2c1cccc2)=O
InChI	InChI=1S/C26H18N6O4/c33-31(34)20-15-16-23(24(17-20)32(35)36)27-28-26-22-14-8-7-13-21(22)25(18-9-3-1-4-10-18)29-30(26)19-11-5-2-6-12-19/h1-17,27H
InChIK	HZMKMCHKFIAYRL-UHFFFAOYSA-N
TotalMolweight	478.467
Molweight	478.467
MonoisotopicMass	478.138954
CLogP	5.5645
CLogS	-7.25
H Acceptors	10
H Donors	1
TotalSurfaceArea	354.08
Relative PSA	0.27923
PolarSurfaceArea	131.63
Druglikeness	-2.3884
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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