N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C25H18N3O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C25H18N3O2Cl3 |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1Cl)cc(Cl)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C25H18Cl3N3O2/c26-20-9-3-1-7-18(20)16-33-24-21(27)13-17(14-22(24)28)15-29-30-25(32)19-8-2-4-10-23(19)31-11-5-6-12-31/h1-15H,16H2,(H,30,32) |
| InChIK | NSSGSIAHRSXGKU-UHFFFAOYSA-N |
| TotalMolweight | 498.796 |
| Molweight | 498.796 |
| MonoisotopicMass | 497.046458 |
| CLogP | 6.5526 |
| CLogS | -9.583 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 365.73 |
| Relative PSA | 0.14459 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 4.761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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