N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide
Formula:C23H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C23H18N3O2F |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cn(Cc(cccc2)c2F)c2c1cccc2)=O |
| InChI | InChI=1S/C23H18FN3O2/c24-20-10-4-1-7-16(20)14-27-15-17(18-8-2-5-11-21(18)27)13-25-26-23(29)19-9-3-6-12-22(19)28/h1-13,15,28H,14H2,(H,26,29) |
| InChIK | WVHPMIVKKKWUSK-UHFFFAOYSA-N |
| TotalMolweight | 387.413 |
| Molweight | 387.413 |
| MonoisotopicMass | 387.138305 |
| CLogP | 4.4864 |
| CLogS | -4.717 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.01 |
| Relative PSA | 0.18848 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 4.7756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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