ChemDB: Chemical Search
Download
Chemical ID: 4707109
Chemical ID:
4707109
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C4CCC(O3)O4
InChi [?]:
InChI=1/C14H12O2/c1-2-4-10-9(3-1)5-6-11-14(10)12-7-8-13(15-11)16-12/h1-6,12-13H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,12,13,5,4,9,11,14,10,15,16/rA:16cCCCCCCCCCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s9s14;s11s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.1513 |
Area: | 354.983 |
Solvation: | -2.72327 |
Coulombic: | -18.0394 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 212.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.9 |
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 |
---|