5-(2,4-dinitrophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3,4-thiadiazol-2-amine

Formula:C13H7N7O7S Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-(2,4-dinitrophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3,4-thiadiazol-2-amine is not a drug-like molecule.

MolName	5-(2,4-dinitrophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3,4-thiadiazol-2-amine
MolecularFormula	C13H7N7O7S
Smiles	[O-][N+](c1ccc(/C=N\Nc2nnc(-c(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)s2)o1)=O
InChI	InChI=1S/C13H7N7O7S/c21-18(22)7-1-3-9(10(5-7)19(23)24)12-15-17-13(28-12)16-14-6-8-2-4-11(27-8)20(25)26/h1-6H,(H,16,17)
InChIK	MCQZGLJSOALPEI-UHFFFAOYSA-N
TotalMolweight	405.307
Molweight	405.307
MonoisotopicMass	405.012768
CLogP	2.2842
CLogS	-5.24
H Acceptors	14
H Donors	1
TotalSurfaceArea	283.16
Relative PSA	0.60263
PolarSurfaceArea	229.01
Druglikeness	2.3663
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	3
StereoCon

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