N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Formula:C20H15N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide |
| MolecularFormula | C20H15N4OF3 |
| Smiles | O=C(c1c(CCc2c-3cccc2)c3n[nH]1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C20H15F3N4O/c21-20(22,23)16-8-4-2-6-13(16)11-24-27-19(28)18-15-10-9-12-5-1-3-7-14(12)17(15)25-26-18/h1-8,11H,9-10H2,(H,25,26)(H,27,28) |
| InChIK | YXVODCSDMCJKFL-UHFFFAOYSA-N |
| TotalMolweight | 384.36 |
| Molweight | 384.36 |
| MonoisotopicMass | 384.119795 |
| CLogP | 4.2205 |
| CLogS | -5.426 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.56 |
| Relative PSA | 0.21888 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -2.4556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide | 2 - N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off