N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitroaniline
Formula:C29H21N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitroaniline |
| MolecularFormula | C29H21N4O2Br |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C29H21BrN4O2/c30-24-11-15-26(16-12-24)33-28(21-7-3-1-4-8-21)19-23(29(33)22-9-5-2-6-10-22)20-31-32-25-13-17-27(18-14-25)34(35)36/h1-20,32H |
| InChIK | DIFKGOARGPRXGF-UHFFFAOYSA-N |
| TotalMolweight | 537.416 |
| Molweight | 537.416 |
| MonoisotopicMass | 536.084787 |
| CLogP | 8.3298 |
| CLogS | -10.312 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 380.02 |
| Relative PSA | 0.15857 |
| PolarSurfaceArea | 75.14 |
| Druglikeness | -3.2024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 |
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1 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitroaniline | 2 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitroaniline
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