[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] cyclopropanecarboxylate
Formula:C15H14NO2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C15H14NO2Cl |
| Smiles | O=C(C1CC1)O/N=C\C(CCc1c2cccc1)=C2Cl |
| InChI | InChI=1S/C15H14ClNO2/c16-14-12(9-17-19-15(18)11-6-7-11)8-5-10-3-1-2-4-13(10)14/h1-4,9,11H,5-8H2 |
| InChIK | XXOJCOVXFUCXRD-UHFFFAOYSA-N |
| TotalMolweight | 275.734 |
| Molweight | 275.734 |
| MonoisotopicMass | 275.071306 |
| CLogP | 3.7604 |
| CLogS | -3.001 |
| H Acceptors | 3 |
| TotalSurfaceArea | 204.65 |
| Relative PSA | 0.16882 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -2.4368 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] cyclopropanecarboxylate | 2 - [(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino] cyclopropanecarboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off