[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl] 4-chlorobenzoate
Formula:C26H19N4O2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C26H19N4O2Cl |
| Smiles | O=C(c(cc1)ccc1Cl)Oc(cc1)ccc1/C(/N=N/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C26H19ClN4O2/c27-21-15-11-20(12-16-21)26(32)33-24-17-13-19(14-18-24)25(30-28-22-7-3-1-4-8-22)31-29-23-9-5-2-6-10-23/h1-18,28H |
| InChIK | HYMYGXCSTCCSJH-UHFFFAOYSA-N |
| TotalMolweight | 454.916 |
| Molweight | 454.916 |
| MonoisotopicMass | 454.119653 |
| CLogP | 8.5916 |
| CLogS | -7.164 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 353.16 |
| Relative PSA | 0.19546 |
| PolarSurfaceArea | 75.41 |
| Druglikeness | -3.3856 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl] 4-chlorobenzoate | 2 - [4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl] 4-chlorobenzoate
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