(2Z)-2-(cyclohexylmethylidene)-4,9-dihydro-3H-carbazol-1-one
Formula:C19H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(cyclohexylmethylidene)-4,9-dihydro-3H-carbazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-(cyclohexylmethylidene)-4,9-dihydro-3H-carbazol-1-one |
| MolecularFormula | C19H21NO |
| Smiles | O=C(c1c(CC2)c(cccc3)c3[nH]1)/C2=C\C1CCCCC1 |
| InChI | InChI=1S/C19H21NO/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/h4-5,8-9,12-13,20H,1-3,6-7,10-11H2 |
| InChIK | GWTFQBDFGBSFMC-UHFFFAOYSA-N |
| TotalMolweight | 279.382 |
| Molweight | 279.382 |
| MonoisotopicMass | 279.162314 |
| CLogP | 4.3339 |
| CLogS | -4.93 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 221.71 |
| Relative PSA | 0.12192 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | -2.8175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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