(2Z)-2-[(4-chlorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
Formula:C19H14NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-chlorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-chlorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one |
| MolecularFormula | C19H14NOCl |
| Smiles | O=C(c1c(CC2)c(cccc3)c3[nH]1)/C2=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H14ClNO/c20-14-8-5-12(6-9-14)11-13-7-10-16-15-3-1-2-4-17(15)21-18(16)19(13)22/h1-6,8-9,11,21H,7,10H2 |
| InChIK | DSCZYJKJXQTIBY-UHFFFAOYSA-N |
| TotalMolweight | 307.779 |
| Molweight | 307.779 |
| MonoisotopicMass | 307.076391 |
| CLogP | 4.7122 |
| CLogS | -5.568 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 229.09 |
| Relative PSA | 0.11799 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | 1.2323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(4-chlorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one | 2 - (2Z)-2-[(4-chlorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off