2,4-dinitro-N-[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethylideneamino]aniline

Formula:C21H16N8O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2,4-dinitro-N-[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethylideneamino]aniline is not a drug-like molecule.

MolName	2,4-dinitro-N-[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethylideneamino]aniline
MolecularFormula	C21H16N8O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\Cc1nnnn1-c(cc1)ccc1-c1ccccc1)=O
InChI	InChI=1S/C21H16N8O4/c30-28(31)18-10-11-19(20(14-18)29(32)33)23-22-13-12-21-24-25-26-27(21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,13-14,23H,12H2
InChIK	DSVPDGCKBDDOJF-UHFFFAOYSA-N
TotalMolweight	444.41
Molweight	444.41
MonoisotopicMass	444.129452
CLogP	3.1322
CLogS	-5.625
H Acceptors	12
H Donors	1
TotalSurfaceArea	335.34
Relative PSA	0.36855
PolarSurfaceArea	159.63
Druglikeness	-3.5489
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	4
AcidicOxygens	2
StereoCon

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