2-[2-[(Z)-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C23H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C23H18N4O4 |
| Smiles | OC(COc1c(/C=N\NC(N2c3ccccc3)=Nc(cccc3)c3C2=O)cccc1)=O |
| InChI | InChI=1S/C23H18N4O4/c28-21(29)15-31-20-13-7-4-8-16(20)14-24-26-23-25-19-12-6-5-11-18(19)22(30)27(23)17-9-2-1-3-10-17/h1-14H,15H2,(H,25,26)(H,28,29) |
| InChIK | NVRJMGINQBITFO-UHFFFAOYSA-N |
| TotalMolweight | 414.42 |
| Molweight | 414.42 |
| MonoisotopicMass | 414.132806 |
| CLogP | 3.5335 |
| CLogS | -5.59 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 314.38 |
| Relative PSA | 0.2774 |
| PolarSurfaceArea | 103.59 |
| Druglikeness | 4.3258 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
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