[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
Formula:C19H15N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate is a drug-like molecule.
| MolName | [(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate |
| MolecularFormula | C19H15N3O5 |
| Smiles | N/C(/c1cccc([N+]([O-])=O)c1)=N/OC(COc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C19H15N3O5/c20-19(15-6-3-7-16(10-15)22(24)25)21-27-18(23)12-26-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H2,20,21) |
| InChIK | LBYJZDQRUVELCN-UHFFFAOYSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 2.9198 |
| CLogS | -5.382 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 274.29 |
| Relative PSA | 0.32899 |
| PolarSurfaceArea | 119.73 |
| Druglikeness | -7.6593 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate | 2 - [(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
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