Chemical ID: 3994024

c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)O
Chemical ID:
3994024
Name [?]:
2-(1-adamantylcarbamoyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.67918
Area:452.574
Solvation:-2.63518
Coulombic:-49.827
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.364
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.92
LogP (Chemaxon):2.18

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