N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
Formula:C30H22N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C30H22N3O2Br |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C30H22BrN3O2/c31-24-15-17-25(18-16-24)34-27(21-9-3-1-4-10-21)19-23(29(34)22-11-5-2-6-12-22)20-32-33-30(36)26-13-7-8-14-28(26)35/h1-20,35H,(H,33,36) |
| InChIK | CRKJHOJCLMWEMB-UHFFFAOYSA-N |
| TotalMolweight | 536.428 |
| Molweight | 536.428 |
| MonoisotopicMass | 535.089538 |
| CLogP | 7.2664 |
| CLogS | -10.128 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 380.45 |
| Relative PSA | 0.14714 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 3.767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
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