ChemDB: Chemical Search
Download
Chemical ID: 4668624
Chemical ID:
4668624
Name [?]:
1-naphthylphosphonic acid
SMILES [?]:
c1ccc2c(c1)cccc2P(=O)(O)O
InChi [?]:
InChI=1/C10H9O3P/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,5,4,10,12,13,14,11/E:(11,12,13)/rA:14nCCCCCCCCCCPOOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9O3P |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20721 |
Area: | 350.091 |
Solvation: | -2.54507 |
Coulombic: | -43.9446 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 208.15 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.47 |
LogP (Chemaxon): | 1.7 |
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 |
---|