Chemical ID: 4897642

Cc1c(c(=O)c2ccc(c(c2o1)CN(CC(C)C)CC(C)C)O)Oc3ccccc3Br
Chemical ID:
4897642
Name [?]:
3-(2-bromophenoxy)-8-(diisobutylaminomethyl)-7-hydroxy-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(c(c2o1)CN(CC(C)C)CC(C)C)O)Oc3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30BrNO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.3261
Area:628.883
Solvation:-3.39595
Coulombic:-48.1389
Bond Count [?]
All:33
Single:25
Double:8
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:488.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.02
LogP (Chemaxon):5.67

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