N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C23H18N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C23H18N4O |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(Cc2cccc3ccccc23)=O)c1 |
| InChI | InChI=1S/C23H18N4O/c24-12-13-27-16-19(21-10-3-4-11-22(21)27)15-25-26-23(28)14-18-8-5-7-17-6-1-2-9-20(17)18/h1-11,15-16H,13-14H2,(H,26,28) |
| InChIK | OOGVZZUDFKVFFT-UHFFFAOYSA-N |
| TotalMolweight | 366.423 |
| Molweight | 366.423 |
| MonoisotopicMass | 366.148061 |
| CLogP | 4.0679 |
| CLogS | -5.633 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.62 |
| Relative PSA | 0.19157 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | 1.7996 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off