3-[(2Z)-2-[phenyl(phenyldiazenyl)methylidene]hydrazinyl]benzoic acid
Formula:C20H16N4O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
3-[(2Z)-2-[phenyl(phenyldiazenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[(2Z)-2-[phenyl(phenyldiazenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C20H16N4O2 |
| Smiles | OC(c1cc(N/N=C(/c2ccccc2)\N=N\c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H16N4O2/c25-20(26)16-10-7-13-18(14-16)22-24-19(15-8-3-1-4-9-15)23-21-17-11-5-2-6-12-17/h1-14,22H,(H,25,26) |
| InChIK | WUJMXPZHXQXTCO-UHFFFAOYSA-N |
| TotalMolweight | 344.373 |
| Molweight | 344.373 |
| MonoisotopicMass | 344.127326 |
| CLogP | 6.0402 |
| CLogS | -4.971 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.33 |
| Relative PSA | 0.26293 |
| PolarSurfaceArea | 86.41 |
| Druglikeness | -3.4218 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(2Z)-2-[phenyl(phenyldiazenyl)methylidene]hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-[phenyl(phenyldiazenyl)methylidene]hydrazinyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off