2-[3-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]indol-1-yl]acetic acid
Formula:C19H14N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]indol-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]indol-1-yl]acetic acid |
| MolecularFormula | C19H14N3O3F3 |
| Smiles | OC(Cn1c(cccc2)c2c(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)c1)=O |
| InChI | InChI=1S/C19H14F3N3O3/c20-19(21,22)14-5-3-4-12(8-14)18(28)24-23-9-13-10-25(11-17(26)27)16-7-2-1-6-15(13)16/h1-10H,11H2,(H,24,28)(H,26,27) |
| InChIK | QBWRZNQFXQZDTA-UHFFFAOYSA-N |
| TotalMolweight | 389.332 |
| Molweight | 389.332 |
| MonoisotopicMass | 389.098726 |
| CLogP | 3.2018 |
| CLogS | -4.167 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 278.11 |
| Relative PSA | 0.24818 |
| PolarSurfaceArea | 83.69 |
| Druglikeness | -6.9733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]indol-1-yl]acetic acid | 2 - 2-[3-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]indol-1-yl]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off