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Chemical ID: 4556607
Chemical ID:
4556607
Name [?]:
2-benzofuran-2-yl-1-(6-hydroxy-3-methyl-benzofuran-2-yl)-ethanone
SMILES [?]:
Cc1c2ccc(cc2oc1C(=O)Cc3cc4ccccc4o3)O
InChi [?]:
InChI=1/C19H14O4/c1-11-15-7-6-13(20)9-18(15)23-19(11)16(21)10-14-8-12-4-2-3-5-17(12)22-14/h2-9,20H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,5,4,15,7,13,2,16,6,14,3,11,21,8,10,23,12,22,9/rA:23nCCCCCCCCOCCOCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53541 |
Area: | 500.662 |
Solvation: | -3.98114 |
Coulombic: | -39.899 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.24 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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