4-[(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid
Formula:C23H18N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C23H18N3O2F |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2)=O |
| InChI | InChI=1S/C23H18FN3O2/c24-19-9-5-16(6-10-19)14-27-15-18(21-3-1-2-4-22(21)27)13-25-26-20-11-7-17(8-12-20)23(28)29/h1-13,15,26H,14H2,(H,28,29) |
| InChIK | LDDVZIKVICTNPY-UHFFFAOYSA-N |
| TotalMolweight | 387.413 |
| Molweight | 387.413 |
| MonoisotopicMass | 387.138305 |
| CLogP | 5.9565 |
| CLogS | -4.454 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.01 |
| Relative PSA | 0.18848 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 2.6245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid
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