[(E)-[amino-(4-nitrophenyl)methylidene]amino] phenyl carbonate
Formula:C14H11N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-nitrophenyl)methylidene]amino] phenyl carbonate is a drug-like molecule.
| MolName | [(E)-[amino-(4-nitrophenyl)methylidene]amino] phenyl carbonate |
| MolecularFormula | C14H11N3O5 |
| Smiles | N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(Oc1ccccc1)=O |
| InChI | InChI=1S/C14H11N3O5/c15-13(10-6-8-11(9-7-10)17(19)20)16-22-14(18)21-12-4-2-1-3-5-12/h1-9H,(H2,15,16) |
| InChIK | IRFQHCAHZRZYQF-UHFFFAOYSA-N |
| TotalMolweight | 301.257 |
| Molweight | 301.257 |
| MonoisotopicMass | 301.069872 |
| CLogP | 2.4274 |
| CLogS | -4.47 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 225.93 |
| Relative PSA | 0.39942 |
| PolarSurfaceArea | 119.73 |
| Druglikeness | -9.5595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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