4-amino-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C14H10N6O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-amino-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C14H10N6O5
Smiles	Nc1nonc1C(N/N=C\c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=O
InChI	InChI=1S/C14H10N6O5/c15-13-12(18-25-19-13)14(21)17-16-7-8-5-6-11(24-8)9-3-1-2-4-10(9)20(22)23/h1-7H,(H2,15,19)(H,17,21)
InChIK	JBQUMWYJOLIFFI-UHFFFAOYSA-N
TotalMolweight	342.27
Molweight	342.27
MonoisotopicMass	342.071269
CLogP	1.4583
CLogS	-4.509
H Acceptors	11
H Donors	2
TotalSurfaceArea	255.84
Relative PSA	0.5154
PolarSurfaceArea	165.36
Druglikeness	3.1011
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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