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

Formula:C18H11N9O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,4-difluorophenyl)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)-(2,4-difluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C18H11N9O4F2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(ccc(F)c2)c2F)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H11F2N9O4/c19-11-4-1-10(13(20)7-11)8-22-24-18(30)14-15(9-2-5-12(6-3-9)29(31)32)28(27-23-14)17-16(21)25-33-26-17/h1-8H,(H2,21,25)(H,24,30)
InChIK	QQWAYAXXFWILBT-UHFFFAOYSA-N
TotalMolweight	455.34
Molweight	455.34
MonoisotopicMass	455.090207
CLogP	2.7256
CLogS	-4.294
H Acceptors	13
H Donors	2
TotalSurfaceArea	325.33
Relative PSA	0.4505
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	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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

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