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

Formula:C19H14N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(2-nitrophenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName2-(2-nitrophenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormulaC19H14N4O6
Smiles[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(Cc(cccc2)c2[N+]([O-])=O)=O)o1)=O
InChIInChI=1S/C19H14N4O6/c24-19(11-14-3-1-2-4-17(14)23(27)28)21-20-12-16-9-10-18(29-16)13-5-7-15(8-6-13)22(25)26/h1-10,12H,11H2,(H,21,24)
InChIKBJYARWSWDQDCCF-UHFFFAOYSA-N
TotalMolweight394.342
Molweight394.342
MonoisotopicMass394.091336
CLogP2.2954
CLogS-6.066
H Acceptors10
H Donors1
TotalSurfaceArea297.54
Relative PSA0.37292
PolarSurfaceArea146.24
Druglikeness1.3926
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.62069
Fragments1
Non HAtoms29
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms2
AcidicOxygens2
StereoCon

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