Chemical ID: 6826359

c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
Chemical ID:
6826359
Name [?]:
1-(benzoimidazol-1-ylmethyl)pyrazole-3-carboxylate
SMILES [?]:
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
InChi [?]:
InChI=1/C12H10N4O2/c17-12(18)10-5-6-16(14-10)8-15-7-13-9-3-1-2-4-11(9)15/h1-7H,8H2,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,12,8,10,5,14,4,16,7,15,9,11,17,18/E:(17,18)/rA:18nCCCCCCNCNCNCCCNCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;s11d14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N4O2-
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-35.8585
Area:412.502
Solvation:-46.171
Coulombic:-15.7415
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:241.226
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.2
LogP (Chemaxon):0.72

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