[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Formula:C15H12N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C15H12N3O3Br |
| Smiles | NC(N/N=C\c(cccc1)c1OC(c(cccc1)c1Br)=O)=O |
| InChI | InChI=1S/C15H12BrN3O3/c16-12-7-3-2-6-11(12)14(20)22-13-8-4-1-5-10(13)9-18-19-15(17)21/h1-9H,(H3,17,19,21) |
| InChIK | VJOMMDFKASSPNP-UHFFFAOYSA-N |
| TotalMolweight | 362.182 |
| Molweight | 362.182 |
| MonoisotopicMass | 361.006203 |
| CLogP | 3.291 |
| CLogS | -5.118 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 241.89 |
| Relative PSA | 0.30725 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.1538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate | 2 - [2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off