Chemical ID: 6733308

Cc1cccc(c1)n2cnc3c2ccc(c3)C(=O)[O-]
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

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