2-(2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C19H14N4O7 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-(2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.

MolName2-(2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormulaC19H14N4O7
Smiles[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(COc(cccc2)c2[N+]([O-])=O)=O)o1)=O
InChIInChI=1S/C19H14N4O7/c24-19(12-29-18-4-2-1-3-16(18)23(27)28)21-20-11-15-9-10-17(30-15)13-5-7-14(8-6-13)22(25)26/h1-11H,12H2,(H,21,24)
InChIKSKZUTBGIJHEPDK-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 Index0.63333
Fragments1
Non HAtoms30
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms2
AcidicOxygens2
StereoCon

Request More Details | 2-(2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments