[4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C21H15N2O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C21H15N2O4I |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O)=O |
| InChI | InChI=1S/C21H15IN2O4/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-23-24-20(26)15-7-9-16(25)10-8-15/h1-13,25H,(H,24,26) |
| InChIK | BIXZHTIKEPIQPF-UHFFFAOYSA-N |
| TotalMolweight | 486.26 |
| Molweight | 486.26 |
| MonoisotopicMass | 486.007656 |
| CLogP | 4.7235 |
| CLogS | -5.911 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 307.13 |
| Relative PSA | 0.23492 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.4515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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