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Chemical ID: 4691971
Chemical ID:
4691971
Name [?]:
(5-methoxy-3-methyl-benzofuran-2-yl)-phenyl-methanone
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)c3ccccc3)OC
InChi [?]:
InChI=1/C17H14O3/c1-11-14-10-13(19-2)8-9-15(14)20-17(11)16(18)12-6-4-3-5-7-12/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,15,17,14,18,6,7,4,2,13,5,3,8,11,10,12,19,9/E:(4,5)(6,7)/rA:20nCCCCCCCCOCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39939 |
Area: | 449.315 |
Solvation: | -2.83347 |
Coulombic: | -26.9587 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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