(E)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoate
Molecular Formula : C11H8N3O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoate is a drug-like molecule.
MolName : (E)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoate |
MolecularFormula : C11H8N3O6 |
Smiles : [O-]C(/C=C/C(NNC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O |
InChI : InChI=1S/C11H9N3O6/c15-9(5-6-10(16)17)12-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-6H,(H,12,15)(H,13,18)(H,16,17)/p-1 |
InChIK : ADRBOUHHCXLSOZ-UHFFFAOYSA-M |
TotalMolweight : 278.2 |
Molweight : 278.2 |
MonoisotopicMass : 278.041312 |
CLogP : -3.4435 |
CLogS : -2.387 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 207.13 |
Relative PSA : 0.51533 |
PolarSurfaceArea : 144.15 |
Druglikeness : -4.2755 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 1 |
Small Rings : 1 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 2 |
StereoCon : |