3-[5-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C19H12N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C19H12N2O4Cl |
| Smiles | [O-]C(c1cccc(-c2ccc(/C=N\NC(c3cccc(Cl)c3)=O)o2)c1)=O |
| InChI | InChI=1S/C19H13ClN2O4/c20-15-6-2-4-13(10-15)18(23)22-21-11-16-7-8-17(26-16)12-3-1-5-14(9-12)19(24)25/h1-11H,(H,22,23)(H,24,25)/p-1 |
| InChIK | LCMHHOZOBYJFCX-UHFFFAOYSA-M |
| TotalMolweight | 367.767 |
| Molweight | 367.767 |
| MonoisotopicMass | 367.04856 |
| CLogP | 2.1556 |
| CLogS | -5.93 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.14 |
| Relative PSA | 0.27943 |
| PolarSurfaceArea | 94.73 |
| Druglikeness | 6.538 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[5-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate | 2 - 3-[5-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off