2-[(2Z)-2-[[4-[(Z)-[(2-carboxyphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzoic acid
Formula:C22H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[[4-[(Z)-[(2-carboxyphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[[4-[(Z)-[(2-carboxyphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C22H18N4O4 |
| Smiles | OC(c(cccc1)c1N/N=C\c1ccc(/C=N\Nc(cccc2)c2C(O)=O)cc1)=O |
| InChI | InChI=1S/C22H18N4O4/c27-21(28)17-5-1-3-7-19(17)25-23-13-15-9-11-16(12-10-15)14-24-26-20-8-4-2-6-18(20)22(29)30/h1-14,25-26H,(H,27,28)(H,29,30) |
| InChIK | XGCZSTRPELYXMO-UHFFFAOYSA-N |
| TotalMolweight | 402.409 |
| Molweight | 402.409 |
| MonoisotopicMass | 402.132806 |
| CLogP | 6.9924 |
| CLogS | -4.708 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 313.42 |
| Relative PSA | 0.31338 |
| PolarSurfaceArea | 123.38 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(2Z)-2-[[4-[(Z)-[(2-carboxyphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzoic acid | 2 - 2-[(2Z)-2-[[4-[(Z)-[(2-carboxyphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzoic acid
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