2-(2-nitrophenoxy)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C19H14N4O7 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-(2-nitrophenoxy)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.

MolName2-(2-nitrophenoxy)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormulaC19H14N4O7
Smiles[O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(COc(cccc2)c2[N+]([O-])=O)=O)o1)=O
InChIInChI=1S/C19H14N4O7/c24-19(12-29-18-8-4-3-7-16(18)23(27)28)21-20-11-13-9-10-17(30-13)14-5-1-2-6-15(14)22(25)26/h1-11H,12H2,(H,21,24)
InChIKBUWLXDAHOVXHCL-UHFFFAOYSA-N
TotalMolweight410.341
Molweight410.341
MonoisotopicMass410.086251
CLogP1.8722
CLogS-5.881
H Acceptors11
H Donors1
TotalSurfaceArea307.54
Relative PSA0.39331
PolarSurfaceArea155.47
Druglikeness1.3395
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56667
Fragments1
Non HAtoms30
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
AcidicOxygens2
StereoCon

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