5-nitro-2-[(pyridine-4-carbonylamino)carbamoyl]benzoate
Formula:C14H9N4O6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
5-nitro-2-[(pyridine-4-carbonylamino)carbamoyl]benzoate is a drug-like molecule.
| MolName | 5-nitro-2-[(pyridine-4-carbonylamino)carbamoyl]benzoate |
| MolecularFormula | C14H9N4O6 |
| Smiles | [O-]C(c(cc(cc1)[N+]([O-])=O)c1C(NNC(c1ccncc1)=O)=O)=O |
| InChI | InChI=1S/C14H10N4O6/c19-12(8-3-5-15-6-4-8)16-17-13(20)10-2-1-9(18(23)24)7-11(10)14(21)22/h1-7H,(H,16,19)(H,17,20)(H,21,22)/p-1 |
| InChIK | JOKOWVYZNUIOHK-UHFFFAOYSA-M |
| TotalMolweight | 329.247 |
| Molweight | 329.247 |
| MonoisotopicMass | 329.052211 |
| CLogP | -2.8958 |
| CLogS | -2.988 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 239.15 |
| Relative PSA | 0.4922 |
| PolarSurfaceArea | 157.04 |
| Druglikeness | -3.368 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-nitro-2-[(pyridine-4-carbonylamino)carbamoyl]benzoate | 2 - 5-nitro-2-[(pyridine-4-carbonylamino)carbamoyl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off