Chemical ID: 6831884

Cn1c(c[nH+]c1c2cc(=O)c3ccccc3o2)Cl
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

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