5-[[3-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C26H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[3-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C26H20N4O4 |
| Smiles | OC(c1ccc(Cn2c(cccc3)c3c(/C=N\NC(c(cccc3)c3-n3cccc3)=O)c2)o1)=O |
| InChI | InChI=1S/C26H20N4O4/c31-25(21-8-2-4-10-23(21)29-13-5-6-14-29)28-27-15-18-16-30(22-9-3-1-7-20(18)22)17-19-11-12-24(34-19)26(32)33/h1-16H,17H2,(H,28,31)(H,32,33) |
| InChIK | GBVAPTXDIZYZQS-UHFFFAOYSA-N |
| TotalMolweight | 452.469 |
| Molweight | 452.469 |
| MonoisotopicMass | 452.148456 |
| CLogP | 3.644 |
| CLogS | -6.731 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 347.06 |
| Relative PSA | 0.25932 |
| PolarSurfaceArea | 101.76 |
| Druglikeness | 6.0901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[[3-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid | 2 - 5-[[3-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
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