Chemical ID: 6936389

c1cc2c(cc1CNC(=O)CCBr)OCO2
Chemical ID:
6936389
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-3-bromo-propanamide
SMILES [?]:
c1cc2c(cc1CNC(=O)CCBr)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H12BrNO3
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.24232
Area:426.329
Solvation:-3.41589
Coulombic:-36.6524
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.122
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):1.51

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