6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexanoic acid
Formula:C15H18NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.
| MolName | 6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexanoic acid |
| MolecularFormula | C15H18NO3Cl |
| Smiles | OC(CCCCCNC(/C=C/c1cccc(Cl)c1)=O)=O |
| InChI | InChI=1S/C15H18ClNO3/c16-13-6-4-5-12(11-13)8-9-14(18)17-10-3-1-2-7-15(19)20/h4-6,8-9,11H,1-3,7,10H2,(H,17,18)(H,19,20) |
| InChIK | ATEPEELQQBWPTA-UHFFFAOYSA-N |
| TotalMolweight | 295.765 |
| Molweight | 295.765 |
| MonoisotopicMass | 295.097521 |
| CLogP | 2.9812 |
| CLogS | -3.582 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 237.29 |
| Relative PSA | 0.21341 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -10.599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexanoic acid | 2 - 6-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]hexanoic acid
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