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Chemical ID: 4737253
Chemical ID:
4737253
Name [?]:
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)pyridine
SMILES [?]:
c1cc(cnc1)OCC2=NCCN2
InChi [?]:
InChI=1/C9H11N3O/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-3,6H,4-5,7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,4,8,3,9,5,10,13,7/E:(4,5)(11,12)/rA:13nCCCCNCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.97202 |
Area: | 350.868 |
Solvation: | -3.79968 |
Coulombic: | -28.0802 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.12 |
LogP (Chemaxon): | -0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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