4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H11N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H11N2O2Br |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cccc(Br)c1)=O |
| InChI | InChI=1S/C14H11BrN2O2/c15-12-3-1-2-10(8-12)9-16-17-13-6-4-11(5-7-13)14(18)19/h1-9,17H,(H,18,19) |
| InChIK | NMSIUZJXVSRACY-UHFFFAOYSA-N |
| TotalMolweight | 319.157 |
| Molweight | 319.157 |
| MonoisotopicMass | 318.000389 |
| CLogP | 5.0512 |
| CLogS | -3.996 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 211.97 |
| Relative PSA | 0.23168 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.070985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off