(2E)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one
Formula:C19H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one is a drug-like molecule.
| MolName | (2E)-2-benzylidene-4,9-dihydro-3H-carbazol-1-one |
| MolecularFormula | C19H15NO |
| Smiles | O=C(c1c(CC2)c(cccc3)c3[nH]1)/C2=C/c1ccccc1 |
| InChI | InChI=1S/C19H15NO/c21-19-14(12-13-6-2-1-3-7-13)10-11-16-15-8-4-5-9-17(15)20-18(16)19/h1-9,12,20H,10-11H2 |
| InChIK | JCUHEMJWSFFFOR-UHFFFAOYSA-N |
| TotalMolweight | 273.334 |
| Molweight | 273.334 |
| MonoisotopicMass | 273.115364 |
| CLogP | 4.1062 |
| CLogS | -4.832 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 213.67 |
| Relative PSA | 0.1265 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | 1.1716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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