(2Z)-2-[(3-bromoanilino)methylidene]cycloheptan-1-one
Formula:C14H16NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-bromoanilino)methylidene]cycloheptan-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(3-bromoanilino)methylidene]cycloheptan-1-one |
| MolecularFormula | C14H16NOBr |
| Smiles | O=C(CCCCC1)/C1=C\Nc1cccc(Br)c1 |
| InChI | InChI=1S/C14H16BrNO/c15-12-6-4-7-13(9-12)16-10-11-5-2-1-3-8-14(11)17/h4,6-7,9-10,16H,1-3,5,8H2 |
| InChIK | MEEDAZOUGXOZEN-UHFFFAOYSA-N |
| TotalMolweight | 294.191 |
| Molweight | 294.191 |
| MonoisotopicMass | 293.041525 |
| CLogP | 3.3287 |
| CLogS | -4.246 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 201.11 |
| Relative PSA | 0.12182 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -9.0182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(3-bromoanilino)methylidene]cycloheptan-1-one | 2 - (2Z)-2-[(3-bromoanilino)methylidene]cycloheptan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off