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Chemical ID: 4941593
Chemical ID:
4941593
Name [?]:
1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-phenyl-prop-2-en-1-one
SMILES [?]:
COc1cc(c(c(c1)OC)C(=O)C=Cc2ccccc2)O
InChi [?]:
InChI=1/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,16,20,14,13,4,8,15,3,11,5,7,6,12,21,2,9/E:(4,5)(6,7)/rA:21nCOCCCCCCOCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.83175 |
Area: | 462.96 |
Solvation: | -5.74226 |
Coulombic: | -38.5156 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 284.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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