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Chemical ID: 7245816
Chemical ID:
7245816
Name [?]:
2-furyl-[1-(2-pyridyl)imidazol-2-yl]-methanone
SMILES [?]:
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
InChi [?]:
InChI=1/C13H9N3O2/c17-12(10-4-3-9-18-10)13-15-7-8-16(13)11-5-1-2-6-14-11/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,16,15,6,3,9,8,17,14,5,12,11,4,10,7,13,18/rA:18nCCCNCCNCCNCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s11;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.36603 |
Area: | 405.941 |
Solvation: | -3.78248 |
Coulombic: | -33.0565 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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