2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
Formula:C21H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C21H17N2O3Br |
| Smiles | OC(c(cccc1)c1N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C21H17BrN2O3/c22-17-11-9-15(10-12-17)14-27-20-8-4-1-5-16(20)13-23-24-19-7-3-2-6-18(19)21(25)26/h1-13,24H,14H2,(H,25,26) |
| InChIK | UTHZSAPTYAGCAN-UHFFFAOYSA-N |
| TotalMolweight | 425.281 |
| Molweight | 425.281 |
| MonoisotopicMass | 424.042254 |
| CLogP | 6.3993 |
| CLogS | -5.337 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.49 |
| Relative PSA | 0.20004 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | -0.25632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid | 2 - 2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
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