[(E)-4-hydroxybut-2-enyl] N-(4-chlorophenyl)carbamate
Formula:C11H12NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-4-hydroxybut-2-enyl] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-4-hydroxybut-2-enyl] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C11H12NO3Cl |
| Smiles | OC/C=C/COC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C11H12ClNO3/c12-9-3-5-10(6-4-9)13-11(15)16-8-2-1-7-14/h1-6,14H,7-8H2,(H,13,15) |
| InChIK | NJFAGWJWYGOAQN-UHFFFAOYSA-N |
| TotalMolweight | 241.673 |
| Molweight | 241.673 |
| MonoisotopicMass | 241.050571 |
| CLogP | 2.3087 |
| CLogS | -3.114 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 188.26 |
| Relative PSA | 0.25284 |
| PolarSurfaceArea | 58.56 |
| Druglikeness | -8.9534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.8125 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-4-hydroxybut-2-enyl] N-(4-chlorophenyl)carbamate | 2 - [(E)-4-hydroxybut-2-enyl] N-(4-chlorophenyl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off