2-[5-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C24H18N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[5-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-[5-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C24H18N2O4 |
| Smiles | OC(c(cccc1)c1-c1ccc(/C=N\NC(Cc2cccc3ccccc23)=O)o1)=O |
| InChI | InChI=1S/C24H18N2O4/c27-23(14-17-8-5-7-16-6-1-2-9-19(16)17)26-25-15-18-12-13-22(30-18)20-10-3-4-11-21(20)24(28)29/h1-13,15H,14H2,(H,26,27)(H,28,29) |
| InChIK | YHHCIAQVFYFBFR-UHFFFAOYSA-N |
| TotalMolweight | 398.417 |
| Molweight | 398.417 |
| MonoisotopicMass | 398.126658 |
| CLogP | 4.8181 |
| CLogS | -6.765 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.9 |
| Relative PSA | 0.24688 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 6.3301 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[5-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-[5-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off