[(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] 4-fluorobenzoate
Formula:C23H16NO2BrClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] 4-fluorobenzoate is not a drug-like molecule.
| MolName | [(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] 4-fluorobenzoate |
| MolecularFormula | C23H16NO2BrClF |
| Smiles | O=C(c(cc1)ccc1F)O/N=C(\C(C1)C1c(cc1)ccc1Cl)/c(cc1)ccc1Br |
| InChI | InChI=1S/C23H16BrClFNO2/c24-17-7-1-15(2-8-17)22(21-13-20(21)14-3-9-18(25)10-4-14)27-29-23(28)16-5-11-19(26)12-6-16/h1-12,20-21H,13H2 |
| InChIK | FGRWTNWJMIPCPC-UHFFFAOYSA-N |
| TotalMolweight | 472.74 |
| Molweight | 472.74 |
| MonoisotopicMass | 471.003695 |
| CLogP | 7.3505 |
| CLogS | -7.764 |
| H Acceptors | 3 |
| TotalSurfaceArea | 309.16 |
| Relative PSA | 0.11175 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.9429 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] 4-fluorobenzoate | 2 - [(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] 4-fluorobenzoate
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