N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazin-1-amine
Formula:C16H11N4F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazin-1-amine |
| MolecularFormula | C16H11N4F3 |
| Smiles | FC(c1cc(/C=N\Nc2nncc3ccccc23)ccc1)(F)F |
| InChI | InChI=1S/C16H11F3N4/c17-16(18,19)13-6-3-4-11(8-13)9-20-22-15-14-7-2-1-5-12(14)10-21-23-15/h1-10H,(H,22,23) |
| InChIK | XNEFDLHFJUEJHD-UHFFFAOYSA-N |
| TotalMolweight | 316.285 |
| Molweight | 316.285 |
| MonoisotopicMass | 316.09358 |
| CLogP | 5.4052 |
| CLogS | -4.812 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.82 |
| Relative PSA | 0.19457 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazin-1-amine | 2 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazin-1-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off