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Chemical ID: 6733308
Chemical ID:
6733308
Name [?]:
1-(m-tolyl)benzoimidazole-5-carboxylate
SMILES [?]:
Cc1cccc(c1)n2cnc3c2ccc(c3)C(=O)[O-]
InChi [?]:
InChI=1/C15H12N2O2/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15(18)19)5-6-14(13)17/h2-9H,1H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,3,5,14,13,7,16,9,2,15,6,11,12,17,10,8,18,19/E:(18,19)/rA:19nCCCCCCCNCNCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11N2O2- |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.051 |
Area: | 435.327 |
Solvation: | -42.9342 |
Coulombic: | -13.1942 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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