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

Formula:C22H14N10O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]triazole-4-carboxamide
MolecularFormula	C22H14N10O7
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccc(-c3cc([N+]([O-])=O)ccc3)o2)=O)c1-c1cccc([N+]([O-])=O)c1
InChI	InChI=1S/C22H14N10O7/c23-20-21(28-39-27-20)30-19(13-4-2-6-15(10-13)32(36)37)18(25-29-30)22(33)26-24-11-16-7-8-17(38-16)12-3-1-5-14(9-12)31(34)35/h1-11H,(H2,23,27)(H,26,33)
InChIK	QHTYYLYQRPYICM-UHFFFAOYSA-N
TotalMolweight	530.416
Molweight	530.416
MonoisotopicMass	530.104695
CLogP	2.5413
CLogS	-5.586
H Acceptors	17
H Donors	2
TotalSurfaceArea	385.75
Relative PSA	0.49537
PolarSurfaceArea	241.89
Druglikeness	-1.2778
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	17
Electronegative Atoms	17
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Aromatic Nitrogens	5
AcidicOxygens	2
StereoCon

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

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