(Z)-4-chlorobut-2-en-1-amine
Formula:C4H8NCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(Z)-4-chlorobut-2-en-1-amine is a drug-like molecule.
| MolName | (Z)-4-chlorobut-2-en-1-amine |
| MolecularFormula | C4H8NCl |
| Smiles | NC/C=C\CCl |
| InChI | InChI=1S/C4H8ClN/c5-3-1-2-4-6/h1-2H,3-4,6H2 |
| InChIK | DYUZZXXUVYQTQX-UHFFFAOYSA-N |
| TotalMolweight | 105.568 |
| Molweight | 105.568 |
| MonoisotopicMass | 105.034526 |
| CLogP | 0.5386 |
| CLogS | -1.266 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 91.46 |
| Relative PSA | 0.16696 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -1.7074 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-chlorobut-2-en-1-amine | 2 - (Z)-4-chlorobut-2-en-1-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off