Chemical ID: 7946640

COc1cc(ccc1OCC(=O)N)C[NH2+]Cc2ccccn2
Chemical ID:
7946640
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OCC(=O)N)C[NH2+]Cc2ccccn2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H20N3O3+
All Atoms:42
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:-29.0819
Area:536.15
Solvation:-42.4857
Coulombic:-4.03798
Bond Count [?]
All:23
Single:16
Double:7
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.3
LogP (Chemaxon):None

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