2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoic acid
Formula:C19H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C19H15N3O3 |
| Smiles | OC(c1c(/C=N\NC(c(cccc2)c2-n2cccc2)=O)cccc1)=O |
| InChI | InChI=1S/C19H15N3O3/c23-18(16-9-3-4-10-17(16)22-11-5-6-12-22)21-20-13-14-7-1-2-8-15(14)19(24)25/h1-13H,(H,21,23)(H,24,25) |
| InChIK | PEKDHCWGZXLRCF-UHFFFAOYSA-N |
| TotalMolweight | 333.346 |
| Molweight | 333.346 |
| MonoisotopicMass | 333.111342 |
| CLogP | 2.8716 |
| CLogS | -6.047 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 260.05 |
| Relative PSA | 0.26541 |
| PolarSurfaceArea | 83.69 |
| Druglikeness | 4.8559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off