5-[[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C23H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C23H19N3O4 |
| Smiles | OC(c1ccc(Cn2c(cccc3)c3c(/C=N\NC(Cc3ccccc3)=O)c2)o1)=O |
| InChI | InChI=1S/C23H19N3O4/c27-22(12-16-6-2-1-3-7-16)25-24-13-17-14-26(20-9-5-4-8-19(17)20)15-18-10-11-21(30-18)23(28)29/h1-11,13-14H,12,15H2,(H,25,27)(H,28,29) |
| InChIK | NCBMLVZYCWXUSW-UHFFFAOYSA-N |
| TotalMolweight | 401.421 |
| Molweight | 401.421 |
| MonoisotopicMass | 401.137557 |
| CLogP | 3.4572 |
| CLogS | -4.383 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 311.86 |
| Relative PSA | 0.26656 |
| PolarSurfaceArea | 96.83 |
| Druglikeness | 6.1322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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