(3S,6R)-N-[(Z)-(3-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
Formula:C19H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S,6R)-N-[(Z)-(3-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide is a drug-like molecule.
| MolName | (3S,6R)-N-[(Z)-(3-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide |
| MolecularFormula | C19H23N3O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C2(CC(C3)C4)C[C@H]4CC[C@H]3C2)=O)ccc1)=O |
| InChI | InChI=1S/C19H23N3O3/c23-18(21-20-12-15-2-1-3-17(8-15)22(24)25)19-9-13-4-5-14(10-19)7-16(6-13)11-19/h1-3,8,12-14,16H,4-7,9-11H2,(H,21,23)/t13-,14+,16?,19? |
| InChIK | LAQZZEILXRIMPK-CIVGIRDPSA-N |
| TotalMolweight | 341.41 |
| Molweight | 341.41 |
| MonoisotopicMass | 341.173942 |
| CLogP | 3.0753 |
| CLogS | -5.436 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 254.63 |
| Relative PSA | 0.26089 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.94292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - (3S,6R)-N-[(Z)-(3-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide | 2 - (3S,6R)-N-[(Z)-(3-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
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