ChemDB: Chemical Search
Download
Chemical ID: 3965130
Chemical ID:
3965130
Name [?]:
7-hydroxy-2-(4-hydroxyphenyl)-chroman-4-one
SMILES [?]:
c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O
InChi [?]:
InChI=1/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,12,15,8,6,3,14,11,9,7,16,19,18,10,17/E:(1,2)(3,4)/rA:19cCCCCCCCCCOCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.57921 |
Area: | 431.336 |
Solvation: | -4.2042 |
Coulombic: | -47.9897 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.253 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.27 |
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 |
---|