N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
Formula:C22H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H16N4O |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(c2cc3ccccc3cc2)=O)c1 |
| InChI | InChI=1S/C22H16N4O/c23-11-12-26-15-19(20-7-3-4-8-21(20)26)14-24-25-22(27)18-10-9-16-5-1-2-6-17(16)13-18/h1-10,13-15H,12H2,(H,25,27) |
| InChIK | DHRJYVHQUZKKSH-UHFFFAOYSA-N |
| TotalMolweight | 352.396 |
| Molweight | 352.396 |
| MonoisotopicMass | 352.132411 |
| CLogP | 4.0698 |
| CLogS | -5.668 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.86 |
| Relative PSA | 0.20095 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | 1.8717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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