N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline
Formula:C15H12N6BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline is a drug-like molecule.
| MolName | N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline |
| MolecularFormula | C15H12N6BrF |
| Smiles | Fc(cc1)ccc1N/N=C\Cc1nnnn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C15H12BrFN6/c16-11-1-7-14(8-2-11)23-15(20-21-22-23)9-10-18-19-13-5-3-12(17)4-6-13/h1-8,10,19H,9H2 |
| InChIK | YMHBXTOKKCSSQY-UHFFFAOYSA-N |
| TotalMolweight | 375.204 |
| Molweight | 375.204 |
| MonoisotopicMass | 374.029083 |
| CLogP | 4.1422 |
| CLogS | -3.767 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.22 |
| Relative PSA | 0.24781 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | -1.3465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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