ChemDB: Chemical Search
Download
Chemical ID: 3965479
Chemical ID:
3965479
Name [?]:
5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one
SMILES [?]:
c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O
InChi [?]:
InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,15,8,6,3,14,12,9,7,16,11,20,18,19,10,17/E:(1,2)(3,4)/rA:20nCCCCCCCCCOCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.93233 |
Area: | 440.578 |
Solvation: | -5.08212 |
Coulombic: | -62.2207 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 270.237 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.57 |
LogP (Chemaxon): | 3.42 |
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 |
---|