4-amino-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide |
| MolecularFormula | C16H15N3O |
| Smiles | Nc(cc1)ccc1C(N/N=C(\CC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C16H15N3O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10,17H2,(H,19,20) |
| InChIK | VNWHZONNGRDHLH-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 2.855 |
| CLogS | -4.476 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.74 |
| Relative PSA | 0.24685 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.3247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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