[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
Molecular Formula : C15H11N4O6Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate is a drug-like molecule.
MolName : [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate |
MolecularFormula : C15H11N4O6Cl |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(COC(c(cc1)cnc1Cl)=O)=O)=O)=O |
InChI : InChI=1S/C15H11ClN4O6/c16-12-6-3-10(7-17-12)15(23)26-8-13(21)18-19-14(22)9-1-4-11(5-2-9)20(24)25/h1-7H,8H2,(H,18,21)(H,19,22) |
InChIK : YNVQURJHHJGNGM-UHFFFAOYSA-N |
TotalMolweight : 378.727 |
Molweight : 378.727 |
MonoisotopicMass : 378.036713 |
CLogP : -0.0436 |
CLogS : -3.377 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 270.8 |
Relative PSA : 0.41887 |
PolarSurfaceArea : 143.21 |
Druglikeness : -2.1751 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.69231 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 7 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |