(E)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
Molecular Formula : C11H9N3O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
MolName : (E)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid |
MolecularFormula : C11H9N3O6 |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(/C=C/C(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) |
InChIK : ADRBOUHHCXLSOZ-UHFFFAOYSA-N |
TotalMolweight : 279.207 |
Molweight : 279.207 |
MonoisotopicMass : 279.049137 |
CLogP : -1.3675 |
CLogS : -2.387 |
H Acceptors : 9 |
H Donors : 3 |
TotalSurfaceArea : 205.95 |
Relative PSA : 0.51255 |
PolarSurfaceArea : 141.32 |
Druglikeness : -3.0696 |
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 : |