Chemical ID: 4703321

CN1C(CC(O1)COC(=O)c2ccc(cc2)Cl)c3ccccc3
Chemical ID:
4703321
Name [?]:
(2-methyl-3-phenyl-isoxazolidin-5-yl)methyl 4-chlorobenzoate
SMILES [?]:
CN1C(CC(O1)COC(=O)c2ccc(cc2)Cl)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:10.1145
Area:556.369
Solvation:-3.79473
Coulombic:-27.5415
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.793
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):3.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue