2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
Formula:C18H16NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.
| MolName | 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid |
| MolecularFormula | C18H16NO3F |
| Smiles | OC(C(Cc1ccccc1)NC(/C=C/c(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C18H16FNO3/c19-15-9-6-13(7-10-15)8-11-17(21)20-16(18(22)23)12-14-4-2-1-3-5-14/h1-11,16H,12H2,(H,20,21)(H,22,23)/t16-/m0/s1 |
| InChIK | NQIBXYDFKGIEAC-INIZCTEOSA-N |
| TotalMolweight | 313.327 |
| Molweight | 313.327 |
| MonoisotopicMass | 313.111422 |
| CLogP | 2.4596 |
| CLogS | -3.593 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 245.44 |
| Relative PSA | 0.20632 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -11.298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
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