2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate

Formula:C18H12N9O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate is not a drug-like molecule.

MolName	2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C18H12N9O5
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc(cc2)[N+]([O-])=O)c2[O-])=O)c1-c1ccccc1
InChI	InChI=1S/C18H13N9O5/c19-16-17(24-32-23-16)26-15(10-4-2-1-3-5-10)14(21-25-26)18(29)22-20-9-11-8-12(27(30)31)6-7-13(11)28/h1-9,28H,(H2,19,23)(H,22,29)/p-1
InChIK	UYTGVXLKEXJBIN-UHFFFAOYSA-M
TotalMolweight	434.351
Molweight	434.351
MonoisotopicMass	434.096141
CLogP	0.6003
CLogS	-3.37
H Acceptors	14
H Donors	2
TotalSurfaceArea	320.16
Relative PSA	0.50237
PolarSurfaceArea	205.99
Druglikeness	-3.0978
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate

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