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Chemical ID: 7351659
Chemical ID:
7351659
Name [?]:
2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-4,5-diphenyl-1H-imidazole
SMILES [?]:
c1ccc(cc1)c2c(nc([nH]2)c3ccc4c(c3)OCCO4)c5ccccc5
InChi [?]:
InChI=1/C23H18N2O2/c1-3-7-16(8-4-1)21-22(17-9-5-2-6-10-17)25-23(24-21)18-11-12-19-20(15-18)27-14-13-26-19/h1-12,15H,13-14H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,13,14,20,19,17,4,22,12,15,16,7,8,10,11,9,21,18/E:(1,2)(3,4,5,6)(7,8,9,10)(16,17)(21,22)(24,25)/rA:27nCCCCCCCCNCNCCCCCCOCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;s15s20;s8;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O2 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6856 |
Area: | 556.854 |
Solvation: | -3.23574 |
Coulombic: | -37.2683 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.401 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.75 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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