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Chemical ID: 6831884
Chemical ID:
6831884
Name [?]:
2-(4-chloro-3-methyl-1H-imidazol-2-yl)chromen-4-one
SMILES [?]:
Cn1c(c[nH+]c1c2cc(=O)c3ccccc3o2)Cl
InChi [?]:
InChI=1/C13H9ClN2O2/c1-16-12(14)7-15-13(16)11-6-9(17)8-4-2-3-5-10(8)18-11/h2-7H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,8,4,11,9,16,7,3,6,18,5,2,10,17/rA:18nCNCCN+CCCCOCCCCCCOCl/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClN2O2+ |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.7248 |
Area: | 423.164 |
Solvation: | -36.3039 |
Coulombic: | -14.1226 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 261.683 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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