[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate
Formula:C21H14NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C21H14NO3Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(c1cnccc1)=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H14ClNO3/c22-18-8-6-16(7-9-18)20(24)12-5-15-3-10-19(11-4-15)26-21(25)17-2-1-13-23-14-17/h1-14H |
| InChIK | XQFGCDYPKCTIHB-UHFFFAOYSA-N |
| TotalMolweight | 363.799 |
| Molweight | 363.799 |
| MonoisotopicMass | 363.066221 |
| CLogP | 4.3394 |
| CLogS | -5.251 |
| H Acceptors | 4 |
| TotalSurfaceArea | 278.96 |
| Relative PSA | 0.16866 |
| PolarSurfaceArea | 56.26 |
| Druglikeness | 0.3554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off