[(E)-[amino-(4-bromophenyl)methylidene]amino] phenyl carbonate
Formula:C14H11N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-bromophenyl)methylidene]amino] phenyl carbonate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] phenyl carbonate |
| MolecularFormula | C14H11N2O3Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(Oc1ccccc1)=O |
| InChI | InChI=1S/C14H11BrN2O3/c15-11-8-6-10(7-9-11)13(16)17-20-14(18)19-12-4-2-1-3-5-12/h1-9H,(H2,16,17) |
| InChIK | RESNRPUCGQVYSH-UHFFFAOYSA-N |
| TotalMolweight | 335.156 |
| Molweight | 335.156 |
| MonoisotopicMass | 333.995304 |
| CLogP | 4.0742 |
| CLogS | -4.844 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.89 |
| Relative PSA | 0.27081 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -6.3372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] phenyl carbonate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] phenyl carbonate
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