2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-3-phenylpropanoic acid
Formula:C23H19N2O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.
| MolName | 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-3-phenylpropanoic acid |
| MolecularFormula | C23H19N2O5Br |
| Smiles | OC(C(Cc1ccccc1)NC(/C(/NC(c(o1)ccc1Br)=O)=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C23H19BrN2O5/c24-20-12-11-19(31-20)22(28)25-17(13-15-7-3-1-4-8-15)21(27)26-18(23(29)30)14-16-9-5-2-6-10-16/h1-13,18H,14H2,(H,25,28)(H,26,27)(H,29,30)/t18-/m0/s1 |
| InChIK | IGHMGQKJWJNYFR-SFHVURJKSA-N |
| TotalMolweight | 483.317 |
| Molweight | 483.317 |
| MonoisotopicMass | 482.047734 |
| CLogP | 3.6576 |
| CLogS | -4.933 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 334.59 |
| Relative PSA | 0.26674 |
| PolarSurfaceArea | 108.64 |
| Druglikeness | -9.962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-3-phenylpropanoic acid
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