(10E)-10-[(4-bromophenyl)methylidene]phenanthren-9-one
Formula:C21H13OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(10E)-10-[(4-bromophenyl)methylidene]phenanthren-9-one is not a drug-like molecule.
| MolName | (10E)-10-[(4-bromophenyl)methylidene]phenanthren-9-one |
| MolecularFormula | C21H13OBr |
| Smiles | O=C1c(cccc2)c2-c(cccc2)c2/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H13BrO/c22-15-11-9-14(10-12-15)13-20-18-7-2-1-5-16(18)17-6-3-4-8-19(17)21(20)23/h1-13H |
| InChIK | FUCLOWMKPUKLFD-UHFFFAOYSA-N |
| TotalMolweight | 361.237 |
| Molweight | 361.237 |
| MonoisotopicMass | 360.014976 |
| CLogP | 5.4628 |
| CLogS | -6.631 |
| H Acceptors | 1 |
| TotalSurfaceArea | 240.37 |
| Relative PSA | 0.05425 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.3384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| StereoCon |
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