[5-chloro-2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
Formula:C22H15N5OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[5-chloro-2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone is a drug-like molecule.
| MolName | [5-chloro-2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone |
| MolecularFormula | C22H15N5OClF |
| Smiles | O=C(c1ccccc1)c(cc(cc1)Cl)c1N/C=C/c1nnnn1-c(cc1)ccc1F |
| InChI | InChI=1S/C22H15ClFN5O/c23-16-6-11-20(19(14-16)22(30)15-4-2-1-3-5-15)25-13-12-21-26-27-28-29(21)18-9-7-17(24)8-10-18/h1-14,25H |
| InChIK | DEYCLCPXDDSWOL-UHFFFAOYSA-N |
| TotalMolweight | 419.846 |
| Molweight | 419.846 |
| MonoisotopicMass | 419.094915 |
| CLogP | 3.6622 |
| CLogS | -6.431 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 315.5 |
| Relative PSA | 0.20374 |
| PolarSurfaceArea | 72.7 |
| Druglikeness | -0.48434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - [5-chloro-2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone | 2 - [5-chloro-2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off