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

Formula:C17H12N6O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C17H12N6O5Cl2
Smiles	Nc1nonc1C(N/N=C\c(cc(cc1)[N+]([O-])=O)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C17H12Cl2N6O5/c18-11-2-1-9(13(19)6-11)8-29-14-4-3-12(25(27)28)5-10(14)7-21-22-17(26)15-16(20)24-30-23-15/h1-7H,8H2,(H2,20,24)(H,22,26)
InChIK	AHXSLEOLORMBLA-UHFFFAOYSA-N
TotalMolweight	451.225
Molweight	451.225
MonoisotopicMass	450.024623
CLogP	3.0795
CLogS	-5.862
H Acceptors	11
H Donors	2
TotalSurfaceArea	320.75
Relative PSA	0.39829
PolarSurfaceArea	161.45
Druglikeness	0.93335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 4-amino-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

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