Chemical ID: 5755904

Cc1c(c2c(n1c3ccc(cc3)Br)CC(CC2=O)(C)C)CC(=O)O
Chemical ID:
5755904
Name [?]:
2-[1-(4-bromophenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl]acetic acid
SMILES [?]:
Cc1c(c2c(n1c3ccc(cc3)Br)CC(CC2=O)(C)C)CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20BrNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1144
Area:527.519
Solvation:-3.07358
Coulombic:-39.0218
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:390.271
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):3.43

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