Chemical ID: 6733313

CCc1ccc(cc1)n2cnc3c2ccc(c3)C(=O)[O-]
Chemical ID:
6733313
Name [?]:
1-(4-ethylphenyl)benzoimidazole-5-carboxylate
SMILES [?]:
CCc1ccc(cc1)n2cnc3c2ccc(c3)C(=O)[O-]
InChi [?]:
InChI=1/C16H14N2O2/c1-2-11-3-6-13(7-4-11)18-10-17-14-9-12(16(19)20)5-8-15(14)18/h3-10H,2H2,1H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,4,8,15,5,7,14,17,10,3,16,6,12,13,18,11,9,19,20/E:(3,4)(6,7)(19,20)/rA:20nCCCCCCCCNCNCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N2O2-
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-31.548
Area:458.014
Solvation:-42.9983
Coulombic:-13.5245
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.287
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.22
LogP (Chemaxon):2.45

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