2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide

Formula:C18H14N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C18H14N8O4
Smiles	Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cccc1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C18H14N8O4/c19-17-16(23-30-24-17)18-21-12-6-2-4-8-14(12)25(18)10-15(27)22-20-9-11-5-1-3-7-13(11)26(28)29/h1-9H,10H2,(H2,19,24)(H,22,27)
InChIK	VPZZNSGGZGOYBU-UHFFFAOYSA-N
TotalMolweight	406.361
Molweight	406.361
MonoisotopicMass	406.113802
CLogP	1.256
CLogS	-4.203
H Acceptors	12
H Donors	2
TotalSurfaceArea	302.47
Relative PSA	0.44828
PolarSurfaceArea	170.04
Druglikeness	1.6412
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide

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