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

Formula:C16H11N9O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-3-ylmethylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-3-ylmethylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C16H11N9O5
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cocc2)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C16H11N9O5/c17-14-15(22-30-21-14)24-13(10-1-3-11(4-2-10)25(27)28)12(19-23-24)16(26)20-18-7-9-5-6-29-8-9/h1-8H,(H2,17,21)(H,20,26)
InChIK	DGAMJXSJOJXZGX-UHFFFAOYSA-N
TotalMolweight	409.321
Molweight	409.321
MonoisotopicMass	409.088316
CLogP	1.6587
CLogS	-3.324
H Acceptors	14
H Donors	2
TotalSurfaceArea	302.32
Relative PSA	0.53146
PolarSurfaceArea	196.07
Druglikeness	-3.2974
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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