N-[(Z)-(3-nitrophenyl)methylideneamino]adamantane-1-carboxamide
Formula:C18H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C18H21N3O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C2(CC(C3)C4)CC4CC3C2)=O)ccc1)=O |
| InChI | InChI=1S/C18H21N3O3/c22-17(18-8-13-4-14(9-18)6-15(5-13)10-18)20-19-11-12-2-1-3-16(7-12)21(23)24/h1-3,7,11,13-15H,4-6,8-10H2,(H,20,22) |
| InChIK | XVNXPTMOFMNNDM-UHFFFAOYSA-N |
| TotalMolweight | 327.383 |
| Molweight | 327.383 |
| MonoisotopicMass | 327.158292 |
| CLogP | 2.7333 |
| CLogS | -5.166 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.87 |
| Relative PSA | 0.27579 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | 0.10708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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