N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C25H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C25H21N3O2 |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C25H21N3O2/c29-25(22-13-5-6-14-23(22)28-16-8-9-17-28)27-26-18-21-12-4-7-15-24(21)30-19-20-10-2-1-3-11-20/h1-18H,19H2,(H,27,29) |
| InChIK | YFYLBAKDJKPGHR-UHFFFAOYSA-N |
| TotalMolweight | 395.461 |
| Molweight | 395.461 |
| MonoisotopicMass | 395.163377 |
| CLogP | 4.7346 |
| CLogS | -7.375 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.47 |
| Relative PSA | 0.16552 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 4.7262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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