[(E)-[amino-(4-bromophenyl)methylidene]amino] 2,5-dichlorobenzoate
Formula:C14H9N2O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-(4-bromophenyl)methylidene]amino] 2,5-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 2,5-dichlorobenzoate |
| MolecularFormula | C14H9N2O2BrCl2 |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(c(cc(cc1)Cl)c1Cl)=O |
| InChI | InChI=1S/C14H9BrCl2N2O2/c15-9-3-1-8(2-4-9)13(18)19-21-14(20)11-7-10(16)5-6-12(11)17/h1-7H,(H2,18,19) |
| InChIK | PCBMOQZMOYNCTG-UHFFFAOYSA-N |
| TotalMolweight | 388.047 |
| Molweight | 388.047 |
| MonoisotopicMass | 385.922443 |
| CLogP | 5.0093 |
| CLogS | -5.842 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.73 |
| Relative PSA | 0.2061 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.4501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2,5-dichlorobenzoate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2,5-dichlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off