2-cyano-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
Formula:C23H18N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-cyano-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C23H18N4O |
| Smiles | N#CCC(N/N=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2)=O |
| InChI | InChI=1S/C23H18N4O/c24-13-12-23(28)26-25-14-19-16-27(22-11-4-3-10-21(19)22)15-18-8-5-7-17-6-1-2-9-20(17)18/h1-11,14,16H,12,15H2,(H,26,28) |
| InChIK | CJOHNSDSNUTGKR-UHFFFAOYSA-N |
| TotalMolweight | 366.423 |
| Molweight | 366.423 |
| MonoisotopicMass | 366.148061 |
| CLogP | 4.1819 |
| CLogS | -5.553 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.62 |
| Relative PSA | 0.19157 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -1.1604 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| 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 - 2-cyano-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off