N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide
Formula:C30H21N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C30H21N4O3Br |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C30H21BrN4O3/c31-25-13-17-26(18-14-25)34-28(21-7-3-1-4-8-21)19-24(29(34)22-9-5-2-6-10-22)20-32-33-30(36)23-11-15-27(16-12-23)35(37)38/h1-20H,(H,33,36) |
| InChIK | UIWKCPAWALJFJA-UHFFFAOYSA-N |
| TotalMolweight | 565.426 |
| Molweight | 565.426 |
| MonoisotopicMass | 564.079702 |
| CLogP | 6.6905 |
| CLogS | -10.884 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 397.77 |
| Relative PSA | 0.18428 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -1.3443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off