2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C16H12N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C16H12N3O4Br |
| Smiles | OC(c1c(/C=N\NC(C(Nc(cccc2)c2Br)=O)=O)cccc1)=O |
| InChI | InChI=1S/C16H12BrN3O4/c17-12-7-3-4-8-13(12)19-14(21)15(22)20-18-9-10-5-1-2-6-11(10)16(23)24/h1-9H,(H,19,21)(H,20,22)(H,23,24) |
| InChIK | FCDPIVWKAUUIEG-UHFFFAOYSA-N |
| TotalMolweight | 390.192 |
| Molweight | 390.192 |
| MonoisotopicMass | 389.001118 |
| CLogP | 2.3542 |
| CLogS | -4.372 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 258.93 |
| Relative PSA | 0.33465 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 1.7191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off