(2E)-1-[(Z)-3-chloroprop-2-enyl]-2-(nitromethylidene)imidazolidine
Formula:C7H10N3O2Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(2E)-1-[(Z)-3-chloroprop-2-enyl]-2-(nitromethylidene)imidazolidine is a drug-like molecule.
| MolName | (2E)-1-[(Z)-3-chloroprop-2-enyl]-2-(nitromethylidene)imidazolidine |
| MolecularFormula | C7H10N3O2Cl |
| Smiles | [O-][N+](/C=C1/N(C/C=C\Cl)CCN1)=O |
| InChI | InChI=1S/C7H10ClN3O2/c8-2-1-4-10-5-3-9-7(10)6-11(12)13/h1-2,6,9H,3-5H2 |
| InChIK | YZYLRANZSRIEOP-UHFFFAOYSA-N |
| TotalMolweight | 203.628 |
| Molweight | 203.628 |
| MonoisotopicMass | 203.046154 |
| CLogP | -0.2686 |
| CLogS | -2.749 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 153.34 |
| Relative PSA | 0.29627 |
| PolarSurfaceArea | 61.09 |
| Druglikeness | -1.9731 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-1-[(Z)-3-chloroprop-2-enyl]-2-(nitromethylidene)imidazolidine | 2 - (2E)-1-[(Z)-3-chloroprop-2-enyl]-2-(nitromethylidene)imidazolidine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off