2-chloro-5-[(2Z)-2-[(1,2-diphenylindol-3-yl)methylidene]hydrazinyl]benzoic acid
Formula:C28H20N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-chloro-5-[(2Z)-2-[(1,2-diphenylindol-3-yl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(1,2-diphenylindol-3-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C28H20N3O2Cl |
| Smiles | OC(c(cc(cc1)N/N=C\c(c2c3cccc2)c(-c2ccccc2)n3-c2ccccc2)c1Cl)=O |
| InChI | InChI=1S/C28H20ClN3O2/c29-25-16-15-20(17-23(25)28(33)34)31-30-18-24-22-13-7-8-14-26(22)32(21-11-5-2-6-12-21)27(24)19-9-3-1-4-10-19/h1-18,31H,(H,33,34) |
| InChIK | UNJHHIADZBYNNN-UHFFFAOYSA-N |
| TotalMolweight | 465.939 |
| Molweight | 465.939 |
| MonoisotopicMass | 465.124404 |
| CLogP | 8.184 |
| CLogS | -9.49 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 352.08 |
| Relative PSA | 0.159 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 3.4385 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-5-[(2Z)-2-[(1,2-diphenylindol-3-yl)methylidene]hydrazinyl]benzoic acid | 2 - 2-chloro-5-[(2Z)-2-[(1,2-diphenylindol-3-yl)methylidene]hydrazinyl]benzoic acid
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