N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-4-hydroxybenzamide
Formula:C18H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C18H14N4O2 |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(c(cc2)ccc2O)=O)c1 |
| InChI | InChI=1S/C18H14N4O2/c19-9-10-22-12-14(16-3-1-2-4-17(16)22)11-20-21-18(24)13-5-7-15(23)8-6-13/h1-8,11-12,23H,10H2,(H,21,24) |
| InChIK | RTPFCZREFYOKOY-UHFFFAOYSA-N |
| TotalMolweight | 318.335 |
| Molweight | 318.335 |
| MonoisotopicMass | 318.111676 |
| CLogP | 2.5297 |
| CLogS | -3.766 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.61 |
| Relative PSA | 0.27529 |
| PolarSurfaceArea | 90.41 |
| Druglikeness | 1.8356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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