Chemical ID: 6642924

Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
Chemical ID:
6642924
Name [?]:
2-(4-benzofuran-2-yl-3-methyl-isoxazol-5-yl)-5-methoxy-phenol
SMILES [?]:
Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
InChi [?]:
InChI=1/C19H15NO4/c1-11-18(17-9-12-5-3-4-6-16(12)23-17)19(24-20-11)14-8-7-13(22-2)10-15(14)21/h3-10,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,20,21,19,22,9,8,17,11,2,18,10,7,12,23,16,3,4,6,13,14,24,5/rA:24nCCCCONCCCCCCOOCCCCCCCCCO/rB:s1;s2;d3;s4;d2s5;s4;s7;d8;s9;d10;d7s11;s12;s10;s14;s3;d16;s17;s18;d19;s20;d21;d18s22;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.54509
Area:503.748
Solvation:-5.04861
Coulombic:-34.7744
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.327
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.26
LogP (Chemaxon):3.66

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Descriptor Annotations

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