[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
Formula:C17H20NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate |
| MolecularFormula | C17H20NO3Br |
| Smiles | O=C(COC(/C=C/c1cccc(Br)c1)=O)NC1CCCCC1 |
| InChI | InChI=1S/C17H20BrNO3/c18-14-6-4-5-13(11-14)9-10-17(21)22-12-16(20)19-15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12H2,(H,19,20) |
| InChIK | HETLOMOZHDBXLR-UHFFFAOYSA-N |
| TotalMolweight | 366.254 |
| Molweight | 366.254 |
| MonoisotopicMass | 365.062655 |
| CLogP | 3.2664 |
| CLogS | -4.302 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.91 |
| Relative PSA | 0.18505 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -5.5051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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