Chemical ID: 6843035

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccncc3)O
Chemical ID:
6843035
Name [?]:
3-[4-[hydroxy-(4-isopropoxyphenyl)-methylene]-2,3-dioxo-5-(4-pyridyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccncc3)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H30N3O4+
All Atoms:61
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-21.8694
Area:656.179
Solvation:-38.2738
Coulombic:-23.4184
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:424.513
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):-2.01

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