N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H20N4O2 |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c1 |
| InChI | InChI=1S/C25H20N4O2/c26-15-16-29-18-19(22-13-7-8-14-23(22)29)17-27-28-24(30)25(31,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,17-18,31H,16H2,(H,28,30) |
| InChIK | BIWYEGLUXAWFFP-UHFFFAOYSA-N |
| TotalMolweight | 408.46 |
| Molweight | 408.46 |
| MonoisotopicMass | 408.158626 |
| CLogP | 3.1557 |
| CLogS | -4.768 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 322.78 |
| Relative PSA | 0.21544 |
| PolarSurfaceArea | 90.41 |
| Druglikeness | 2.6148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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