propan-2-yl 4-[(3-bromobenzoyl)amino]benzoate
Formula:C17H16NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
propan-2-yl 4-[(3-bromobenzoyl)amino]benzoate is a drug-like molecule.
| MolName | propan-2-yl 4-[(3-bromobenzoyl)amino]benzoate |
| MolecularFormula | C17H16NO3Br |
| Smiles | CC(C)OC(c(cc1)ccc1NC(c1cccc(Br)c1)=O)=O |
| InChI | InChI=1S/C17H16BrNO3/c1-11(2)22-17(21)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(18)10-13/h3-11H,1-2H3,(H,19,20) |
| InChIK | JFXOFAYYXKQMGU-UHFFFAOYSA-N |
| TotalMolweight | 362.222 |
| Molweight | 362.222 |
| MonoisotopicMass | 361.031355 |
| CLogP | 4.2109 |
| CLogS | -4.781 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.63 |
| Relative PSA | 0.19354 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -3.7995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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