(2E)-2-(2-bromophenyl)-2-(carbamoylhydrazinylidene)acetic acid
Formula:C9H8N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(2-bromophenyl)-2-(carbamoylhydrazinylidene)acetic acid is a drug-like molecule.
| MolName | (2E)-2-(2-bromophenyl)-2-(carbamoylhydrazinylidene)acetic acid |
| MolecularFormula | C9H8N3O3Br |
| Smiles | NC(N/N=C(/C(O)=O)\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C9H8BrN3O3/c10-6-4-2-1-3-5(6)7(8(14)15)12-13-9(11)16/h1-4H,(H,14,15)(H3,11,13,16) |
| InChIK | DJFMUMHIJFMQBI-UHFFFAOYSA-N |
| TotalMolweight | 286.085 |
| Molweight | 286.085 |
| MonoisotopicMass | 284.974903 |
| CLogP | 0.5221 |
| CLogS | -3.483 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 176.69 |
| Relative PSA | 0.43817 |
| PolarSurfaceArea | 104.78 |
| Druglikeness | 1.7039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-2-(2-bromophenyl)-2-(carbamoylhydrazinylidene)acetic acid | 2 - (2E)-2-(2-bromophenyl)-2-(carbamoylhydrazinylidene)acetic acid
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