(E)-2-[(2-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
Formula:C14H10NO4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-[(2-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-[(2-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid |
| MolecularFormula | C14H10NO4Br |
| Smiles | OC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccco1)=O |
| InChI | InChI=1S/C14H10BrNO4/c15-11-6-2-1-5-10(11)13(17)16-12(14(18)19)8-9-4-3-7-20-9/h1-8H,(H,16,17)(H,18,19) |
| InChIK | XWRRIIFIPMDCMP-UHFFFAOYSA-N |
| TotalMolweight | 336.14 |
| Molweight | 336.14 |
| MonoisotopicMass | 334.97932 |
| CLogP | 2.6753 |
| CLogS | -3.89 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 219.36 |
| Relative PSA | 0.29518 |
| PolarSurfaceArea | 79.54 |
| Druglikeness | -2.3162 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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