(E)-4-[(2Z)-2-[(4-bromophenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid
Formula:C17H13N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[(2Z)-2-[(4-bromophenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[(2Z)-2-[(4-bromophenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C17H13N2O3Br |
| Smiles | OC(/C=C/C(N/N=C(/c1ccccc1)\c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C17H13BrN2O3/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)20-19-15(21)10-11-16(22)23/h1-11H,(H,19,21)(H,22,23) |
| InChIK | YNCBQWBCWCWAAW-UHFFFAOYSA-N |
| TotalMolweight | 373.205 |
| Molweight | 373.205 |
| MonoisotopicMass | 372.010954 |
| CLogP | 3.06 |
| CLogS | -4.948 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 254.43 |
| Relative PSA | 0.24427 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 1.5614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-[(2Z)-2-[(4-bromophenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[(2Z)-2-[(4-bromophenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid
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