2-chloro-5-[(2Z)-2-[[3-(4-chlorophenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
Formula:C20H14N2O3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[[3-(4-chlorophenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[[3-(4-chlorophenoxy)phenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C20H14N2O3Cl2 |
| Smiles | OC(c(cc(cc1)N/N=C\c2cc(Oc(cc3)ccc3Cl)ccc2)c1Cl)=O |
| InChI | InChI=1S/C20H14Cl2N2O3/c21-14-4-7-16(8-5-14)27-17-3-1-2-13(10-17)12-23-24-15-6-9-19(22)18(11-15)20(25)26/h1-12,24H,(H,25,26) |
| InChIK | YDAAMMSRTUJSPT-UHFFFAOYSA-N |
| TotalMolweight | 401.248 |
| Molweight | 401.248 |
| MonoisotopicMass | 400.038147 |
| CLogP | 6.9336 |
| CLogS | -6.931 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.94 |
| Relative PSA | 0.2011 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.8402 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-5-[(2Z)-2-[[3-(4-chlorophenoxy)phenyl]methylidene]hydrazinyl]benzoic acid | 2 - 2-chloro-5-[(2Z)-2-[[3-(4-chlorophenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
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