4-[(2Z)-2-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]benzoic acid
Formula:C24H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C24H20N4O3 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C24H20N4O3/c29-23(26-19-6-2-1-3-7-19)16-28-15-18(21-8-4-5-9-22(21)28)14-25-27-20-12-10-17(11-13-20)24(30)31/h1-15,27H,16H2,(H,26,29)(H,30,31) |
| InChIK | PCOZHAMHEJBLNJ-UHFFFAOYSA-N |
| TotalMolweight | 412.448 |
| Molweight | 412.448 |
| MonoisotopicMass | 412.153541 |
| CLogP | 5.1403 |
| CLogS | -4.329 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 319.87 |
| Relative PSA | 0.2516 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 5.2433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]benzoic acid
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