Chemical ID: 4225090

c1ccc2c(c1)OCC(O2)CNC(=O)c3ccc(cc3)F
Chemical ID:
4225090
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-ylmethyl)-4-fluoro-benzamide
SMILES [?]:
c1ccc2c(c1)OCC(O2)CNC(=O)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14FNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.69198
Area:473.507
Solvation:-4.14568
Coulombic:-43.5538
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.286
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):2.34

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