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N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[3-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-1-adamantyl]acetamide

Formula:C24H26N6O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[3-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-1-adamantyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-[3-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-1-adamantyl]acetamide
MolecularFormulaC24H26N6O8
Smiles[O-][N+](c1ccc(/C=N\NC(CC2(CC(C3)C4)CC4(CC(N/N=C\c4ccc([N+]([O-])=O)o4)=O)CC3C2)=O)o1)=O
InChIInChI=1S/C24H26N6O8/c31-19(27-25-12-17-1-3-21(37-17)29(33)34)10-23-6-15-5-16(7-23)9-24(8-15,14-23)11-20(32)28-26-13-18-2-4-22(38-18)30(35)36/h1-4,12-13,15-16H,5-11,14H2,(H,27,31)(H,28,32)
InChIKKUZOCLQVVNXZRU-UHFFFAOYSA-N
TotalMolweight526.504
Molweight526.504
MonoisotopicMass526.181214
CLogP2.9128
CLogS-8.324
H Acceptors14
H Donors2
TotalSurfaceArea383.08
Relative PSA0.42049
PolarSurfaceArea200.84
Druglikeness3.3225
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.60526
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures5
Small Rings6
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms14
Symmetricatoms19
AcidicOxygens2
StereoCon

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