Chemical ID: 6719466

c1ccc2c(c1)[nH]c(n2)CCCC(=O)[O-]
Chemical ID:
6719466
Name [?]:
4-(1H-benzoimidazol-2-yl)butanoate
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)CCCC(=O)[O-]
InChi [?]:
InChI=1/C11H12N2O2/c14-11(15)7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,11,6,3,10,12,5,4,8,13,7,9,14,15/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:15nCCCCCCNCNCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N2O2-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.2297
Area:389.977
Solvation:-44.9791
Coulombic:-13.8072
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.217
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.8
LogP (Chemaxon):0.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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