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Chemical ID: 6668626
Chemical ID:
6668626
Name [?]:
(3-benzoyl-2,4-dihydroxy-phenyl)-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(c(c2O)C(=O)c3ccccc3)O
InChi [?]:
InChI=1/C20H14O4/c21-16-12-11-15(18(22)13-7-3-1-4-8-13)20(24)17(16)19(23)14-9-5-2-6-10-14/h1-12,21,24H
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,10,11,4,18,9,12,13,7,16,14,24,8,17,15/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCOCCCCCCOCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61373 |
Area: | 507.471 |
Solvation: | -4.07304 |
Coulombic: | -52.2334 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.323 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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