ChemDB: Chemical Search
Download
Chemical ID: 7228791
Chemical ID:
7228791
Name [?]:
(6,7-dihydroxytetralin-2-yl)ammonium
SMILES [?]:
c1c2c(cc(c1O)O)CC(CC2)[NH3+]
InChi [?]:
InChI=1/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2/p+1
InChi Info:
AuxInfo=1/1/N:12,11,9,1,4,2,3,10,6,5,13,7,8/rA:13cCCCCCCOOCCCCN+/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s10;s2s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14NO2+ |
All Atoms: | 27 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -34.2835 |
Area: | 336.071 |
Solvation: | -42.6853 |
Coulombic: | 12.1675 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 180.224 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.16 |
LogP (Chemaxon): | -0.18 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|