N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
Formula:C19H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-pyrrol-1-ylbenzamide |
| MolecularFormula | C19H15N3O3 |
| Smiles | O=C(c(cc1)ccc1-n1cccc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H15N3O3/c23-19(15-4-6-16(7-5-15)22-9-1-2-10-22)21-20-12-14-3-8-17-18(11-14)25-13-24-17/h1-12H,13H2,(H,21,23) |
| InChIK | XMTXOCDHGDFKOH-UHFFFAOYSA-N |
| TotalMolweight | 333.346 |
| Molweight | 333.346 |
| MonoisotopicMass | 333.111342 |
| CLogP | 3.4979 |
| CLogS | -6.745 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.21 |
| Relative PSA | 0.24542 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 4.9168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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