1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide

Formula:C18H13N9O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C18H13N9O5
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cc(O)ccc2)=O)c1-c1cccc([N+]([O-])=O)c1
InChI	InChI=1S/C18H13N9O5/c19-16-17(24-32-23-16)26-15(11-4-2-5-12(8-11)27(30)31)14(21-25-26)18(29)22-20-9-10-3-1-6-13(28)7-10/h1-9,28H,(H2,19,23)(H,22,29)
InChIK	NOBPWRITWIYLHM-UHFFFAOYSA-N
TotalMolweight	435.359
Molweight	435.359
MonoisotopicMass	435.103966
CLogP	2.1783
CLogS	-3.37
H Acceptors	14
H Donors	3
TotalSurfaceArea	318.98
Relative PSA	0.50053
PolarSurfaceArea	203.16
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
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide

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