N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-3-chloro-4-fluoroaniline
Formula:C15H10N5BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-3-chloro-4-fluoroaniline is a drug-like molecule.
| MolName | N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-3-chloro-4-fluoroaniline |
| MolecularFormula | C15H10N5BrClF |
| Smiles | Fc(ccc(N/C=C/c1nnnn1-c(cc1)ccc1Br)c1)c1Cl |
| InChI | InChI=1S/C15H10BrClFN5/c16-10-1-4-12(5-2-10)23-15(20-21-22-23)7-8-19-11-3-6-14(18)13(17)9-11/h1-9,19H |
| InChIK | KYQSJWBCPZGSLG-UHFFFAOYSA-N |
| TotalMolweight | 394.634 |
| Molweight | 394.634 |
| MonoisotopicMass | 392.979211 |
| CLogP | 3.2574 |
| CLogS | -5.165 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.62 |
| Relative PSA | 0.19967 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -2.5759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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