N-[(Z)-(4-nitrophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

Formula:C16H11N7O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-nitrophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is a drug-like molecule.

MolName	N-[(Z)-(4-nitrophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
MolecularFormula	C16H11N7O2
Smiles	[O-][N+](c1ccc(/C=N\Nc2nnc(c(cccc3)c3[nH]3)c3n2)cc1)=O
InChI	InChI=1S/C16H11N7O2/c24-23(25)11-7-5-10(6-8-11)9-17-21-16-19-15-14(20-22-16)12-3-1-2-4-13(12)18-15/h1-9H,(H2,18,19,21,22)
InChIK	GGONYRPZLDZZLM-UHFFFAOYSA-N
TotalMolweight	333.31
Molweight	333.31
MonoisotopicMass	333.097423
CLogP	3.6584
CLogS	-5.191
H Acceptors	9
H Donors	2
TotalSurfaceArea	247.96
Relative PSA	0.40446
PolarSurfaceArea	124.67
Druglikeness	-2.9492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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