2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetate
Formula:C19H12N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetate is a drug-like molecule.
| MolName | 2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetate |
| MolecularFormula | C19H12N4O3F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1cn(CC([O-])=O)c2c1cccc2)=O |
| InChI | InChI=1S/C19H13FN4O3/c20-16-7-12(8-21)5-6-15(16)19(27)23-22-9-13-10-24(11-18(25)26)17-4-2-1-3-14(13)17/h1-7,9-10H,11H2,(H,23,27)(H,25,26)/p-1 |
| InChIK | HDQLNJCDWNSLGE-UHFFFAOYSA-M |
| TotalMolweight | 363.327 |
| Molweight | 363.327 |
| MonoisotopicMass | 363.089344 |
| CLogP | 0.2139 |
| CLogS | -4.476 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.89 |
| Relative PSA | 0.30141 |
| PolarSurfaceArea | 110.31 |
| Druglikeness | -9.6957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetate | 2 - 2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off