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Chemical ID: 4565247
Chemical ID:
4565247
Name [?]:
3-benzofuran-2-yl-7-hydroxy-6-propyl-chromen-4-one
SMILES [?]:
CCCc1cc2c(cc1O)occ(c2=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C20H16O4/c1-2-5-12-8-14-18(10-16(12)21)23-11-15(20(14)22)19-9-13-6-3-4-7-17(13)24-19/h3-4,6-11,21H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,3,19,22,5,17,8,12,4,18,6,13,9,23,7,16,14,10,15,11,24/rA:24nCCCCCCCCCOOCCCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s11;d12;s6s13;d14;s13;d16;s17;s18;d19;s20;d21;d18s22;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82565 |
Area: | 518.57 |
Solvation: | -4.1386 |
Coulombic: | -39.9062 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 320.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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