5-[5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
Formula:C18H12N2O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid is not a drug-like molecule.
| MolName | 5-[5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid |
| MolecularFormula | C18H12N2O3BrCl |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\Nc(cc3)ccc3Br)o2)c1Cl)=O |
| InChI | InChI=1S/C18H12BrClN2O3/c19-12-2-4-13(5-3-12)22-21-10-14-6-8-17(25-14)11-1-7-16(20)15(9-11)18(23)24/h1-10,22H,(H,23,24) |
| InChIK | FIFRLSLSCJDTGI-UHFFFAOYSA-N |
| TotalMolweight | 419.661 |
| Molweight | 419.661 |
| MonoisotopicMass | 417.971981 |
| CLogP | 6.5961 |
| CLogS | -6.192 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.84 |
| Relative PSA | 0.22836 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 2.483 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid | 2 - 5-[5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
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