[(E)-[amino-(3-bromophenyl)methylidene]amino] 3-phenylpropanoate
Formula:C16H15N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(3-bromophenyl)methylidene]amino] 3-phenylpropanoate is a drug-like molecule.
| MolName | [(E)-[amino-(3-bromophenyl)methylidene]amino] 3-phenylpropanoate |
| MolecularFormula | C16H15N2O2Br |
| Smiles | N/C(/c1cccc(Br)c1)=N/OC(CCc1ccccc1)=O |
| InChI | InChI=1S/C16H15BrN2O2/c17-14-8-4-7-13(11-14)16(18)19-21-15(20)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,18,19) |
| InChIK | BGAMIZAUMRPBLP-UHFFFAOYSA-N |
| TotalMolweight | 347.211 |
| Molweight | 347.211 |
| MonoisotopicMass | 346.031689 |
| CLogP | 4.2498 |
| CLogS | -4.605 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.41 |
| Relative PSA | 0.20897 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -7.8034 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 3-phenylpropanoate | 2 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 3-phenylpropanoate
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