N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
Formula:C30H22N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide |
| MolecularFormula | C30H22N3OCl |
| Smiles | O=C(c(cc1)ccc1-n1c(-c2ccccc2)ccc1-c1ccccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C30H22ClN3O/c31-26-15-11-22(12-16-26)21-32-33-30(35)25-13-17-27(18-14-25)34-28(23-7-3-1-4-8-23)19-20-29(34)24-9-5-2-6-10-24/h1-21H,(H,33,35) |
| InChIK | VPMXIJNTAVFBRK-UHFFFAOYSA-N |
| TotalMolweight | 475.978 |
| Molweight | 475.978 |
| MonoisotopicMass | 475.145139 |
| CLogP | 7.4929 |
| CLogS | -10.326 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 370.89 |
| Relative PSA | 0.11561 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.4858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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