2-[3-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetic acid
Formula:C25H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetic acid |
| MolecularFormula | C25H21N3O4 |
| Smiles | OC(C(N/N=C/c1cn(CC(O)=O)c2c1cccc2)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H21N3O4/c29-23(30)17-28-16-18(21-13-7-8-14-22(21)28)15-26-27-24(31)25(32,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16,32H,17H2,(H,27,31)(H,29,30) |
| InChIK | XMOFWDLCLBHPPF-UHFFFAOYSA-N |
| TotalMolweight | 427.459 |
| Molweight | 427.459 |
| MonoisotopicMass | 427.153207 |
| CLogP | 2.6338 |
| CLogS | -4.095 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 325.17 |
| Relative PSA | 0.25254 |
| PolarSurfaceArea | 103.92 |
| Druglikeness | 1.0214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetic acid | 2 - 2-[3-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetic acid
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