[(Z)-(3-nitrophenyl)methylideneamino] N-phenylcarbamate
Formula:C14H11N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] N-phenylcarbamate |
| MolecularFormula | C14H11N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\OC(Nc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C14H11N3O4/c18-14(16-12-6-2-1-3-7-12)21-15-10-11-5-4-8-13(9-11)17(19)20/h1-10H,(H,16,18) |
| InChIK | FKFXABGPKOPSSM-UHFFFAOYSA-N |
| TotalMolweight | 285.258 |
| Molweight | 285.258 |
| MonoisotopicMass | 285.074957 |
| CLogP | 2.9904 |
| CLogS | -4.747 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 220.66 |
| Relative PSA | 0.34637 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -11.387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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