ChemDB: Chemical Search
Download
Chemical ID: 5252598
Chemical ID:
5252598
Name [?]:
(3-benzoyl-2-hydroxy-5-methyl-phenyl)-phenyl-methanone
SMILES [?]:
Cc1cc(c(c(c1)C(=O)c2ccccc2)O)C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H16O3/c1-14-12-17(19(22)15-8-4-2-5-9-15)21(24)18(13-14)20(23)16-10-6-3-7-11-16/h2-13,24H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,22,12,14,21,23,11,15,20,24,7,3,2,10,19,6,4,8,17,5,9,18,16/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(22,23)/rA:24nCCCCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s5;s4;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60841 |
Area: | 514.007 |
Solvation: | -3.24176 |
Coulombic: | -37.2243 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.97 |
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 |
---|