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Chemical ID: 6710949
Chemical ID:
6710949
Name [?]:
4-(1,3-dihydrobenzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)c3c(non3)N
InChi [?]:
InChI=1/C9H7N5O/c10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,14)(H,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,11,8,15,7,9,14,12,13/E:(1,2)(3,4)(5,6)(11,12)/rA:15nCCCCCCNCN+CCNONN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d10s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N5O+ |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.1902 |
Area: | 358.137 |
Solvation: | -34.1436 |
Coulombic: | -22.858 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.193 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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