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Chemical ID: 4341783
Chemical ID:
4341783
Name [?]:
4-(1-methylbenzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
Cn1c2ccccc2nc1c3c(non3)N
InChi [?]:
InChI=1/C10H9N5O/c1-15-7-5-3-2-4-6(7)12-10(15)8-9(11)14-16-13-8/h2-5H,1H3,(H2,11,14)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,3,11,12,10,16,9,15,13,2,14/rA:16nCNCCCCCCNCCCNONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s11;d12;s13;d11s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N5O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77696 |
Area: | 370.549 |
Solvation: | -1.48675 |
Coulombic: | -33.8532 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 215.212 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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