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

Formula:C14H9N6O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-amino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C14H9N6O5Cl
Smiles	Nc1nonc1C(N/N=C\c1ccc(-c(cc(cc2)[N+]([O-])=O)c2Cl)o1)=O
InChI	InChI=1S/C14H9ClN6O5/c15-10-3-1-7(21(23)24)5-9(10)11-4-2-8(25-11)6-17-18-14(22)12-13(16)20-26-19-12/h1-6H,(H2,16,20)(H,18,22)
InChIK	XXCFCRXAOFBHTA-UHFFFAOYSA-N
TotalMolweight	376.715
Molweight	376.715
MonoisotopicMass	376.032296
CLogP	2.0643
CLogS	-5.245
H Acceptors	11
H Donors	2
TotalSurfaceArea	271.26
Relative PSA	0.4861
PolarSurfaceArea	165.36
Druglikeness	3.1363
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	12
Electronegative Atoms	12
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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