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Chemical ID: 6718726
Chemical ID:
6718726
Name [?]:
4-(1-ethyl-3H-benzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
CCn1c2ccccc2[nH+]c1c3c(non3)N
InChi [?]:
InChI=1/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,12,13,11,17,10,16,14,3,15/rA:17nCCNCCCCCCN+CCCNONN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3d10;s11;s12;d13;s14;d12s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N5O+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.4454 |
Area: | 396.527 |
Solvation: | -33.3586 |
Coulombic: | -20.7042 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.246 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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