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Chemical ID: 6719466
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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