N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
Formula:C17H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide |
| MolecularFormula | C17H14N3OCl |
| Smiles | O=C(Cc1c[nH]c2c1cccc2)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H14ClN3O/c18-14-7-5-12(6-8-14)10-20-21-17(22)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,21,22) |
| InChIK | AJXLKQWORBGBEG-UHFFFAOYSA-N |
| TotalMolweight | 311.771 |
| Molweight | 311.771 |
| MonoisotopicMass | 311.082539 |
| CLogP | 3.8451 |
| CLogS | -4.947 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 240.34 |
| Relative PSA | 0.20804 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 4.9892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| 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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