2-N,5-N-bis[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-2,5-dicarboxamide

Formula:C22H14N6O11 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N,5-N-bis[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-2,5-dicarboxamide is not a drug-like molecule.

MolName	2-N,5-N-bis[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-2,5-dicarboxamide
MolecularFormula	C22H14N6O11
Smiles	[O-][N+](c1c(/C=N\NC(c2ccc(C(N/N=C\c(cc3OCOc3c3)c3[N+]([O-])=O)=O)o2)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C22H14N6O11/c29-21(25-23-7-11-3-17-19(37-9-35-17)5-13(11)27(31)32)15-1-2-16(39-15)22(30)26-24-8-12-4-18-20(38-10-36-18)6-14(12)28(33)34/h1-8H,9-10H2,(H,25,29)(H,26,30)
InChIK	FCIBBIZRFXHUMF-UHFFFAOYSA-N
TotalMolweight	538.384
Molweight	538.384
MonoisotopicMass	538.072059
CLogP	2.3659
CLogS	-7.874
H Acceptors	17
H Donors	2
TotalSurfaceArea	378.27
Relative PSA	0.49428
PolarSurfaceArea	224.62
Druglikeness	0.4878
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	17
Electronegative Atoms	17
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	19
AcidicOxygens	2
StereoCon

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1 - 2-N,5-N-bis[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-2,5-dicarboxamide | 2 - 2-N,5-N-bis[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-2,5-dicarboxamide

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