N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]benzamide
Formula:C18H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C18H14N4O |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(c2ccccc2)=O)c1 |
| InChI | InChI=1S/C18H14N4O/c19-10-11-22-13-15(16-8-4-5-9-17(16)22)12-20-21-18(23)14-6-2-1-3-7-14/h1-9,12-13H,11H2,(H,21,23) |
| InChIK | BNBPWPUZWDNQJR-UHFFFAOYSA-N |
| TotalMolweight | 302.336 |
| Molweight | 302.336 |
| MonoisotopicMass | 302.116761 |
| CLogP | 2.8754 |
| CLogS | -4.062 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.26 |
| Relative PSA | 0.22919 |
| 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 | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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