5-amino-10-nitro-12-oxoisoquinolino[2,3-a]quinazoline-7-carboxylate
Formula:C17H9N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-10-nitro-12-oxoisoquinolino[2,3-a]quinazoline-7-carboxylate is a drug-like molecule.
| MolName | 5-amino-10-nitro-12-oxoisoquinolino[2,3-a]quinazoline-7-carboxylate |
| MolecularFormula | C17H9N4O5 |
| Smiles | NC(c(cccc1)c1N12)=NC1=C(C([O-])=O)c(ccc([N+]([O-])=O)c1)c1C2=O |
| InChI | InChI=1S/C17H10N4O5/c18-14-10-3-1-2-4-12(10)20-15(19-14)13(17(23)24)9-6-5-8(21(25)26)7-11(9)16(20)22/h1-7H,(H2,18,19)(H,23,24)/p-1 |
| InChIK | AOURIGIYGBHRPR-UHFFFAOYSA-M |
| TotalMolweight | 349.281 |
| Molweight | 349.281 |
| MonoisotopicMass | 349.057296 |
| CLogP | -1.922 |
| CLogS | -5.193 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 237.43 |
| Relative PSA | 0.42585 |
| PolarSurfaceArea | 144.64 |
| Druglikeness | -2.0673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; aromatic nitro |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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