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Chemical ID: 7231228
Chemical ID:
7231228
Name [?]:
3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-penta-2,4-dien-1-one
SMILES [?]:
COc1cc(ccc1O)C=CC(=CC(=O)c2ccccc2)O
InChi [?]:
InChI=1/C18H16O4/c1-22-18-11-13(8-10-16(18)20)7-9-15(19)12-17(21)14-5-3-2-4-6-14/h2-12,19-20H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,10,6,11,7,4,13,5,16,12,8,14,3,22,9,15,2/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.64615 |
Area: | 517.594 |
Solvation: | -5.2937 |
Coulombic: | -50.092 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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