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

Formula:C18H12N9O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C18H12N9O4F
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2F)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H12FN9O4/c19-12-5-1-10(2-6-12)9-21-23-18(29)14-15(11-3-7-13(8-4-11)28(30)31)27(26-22-14)17-16(20)24-32-25-17/h1-9H,(H2,20,24)(H,23,29)
InChIK	DZBKEOUIZBLQPL-UHFFFAOYSA-N
TotalMolweight	437.35
Molweight	437.35
MonoisotopicMass	437.099629
CLogP	2.6248
CLogS	-3.98
H Acceptors	13
H Donors	2
TotalSurfaceArea	318.98
Relative PSA	0.45946
PolarSurfaceArea	182.93
Druglikeness	-4.4321
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
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	1
Symmetricatoms	4
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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

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