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Chemical ID: 3965201
Chemical ID:
3965201
Name [?]:
3-(azetidin-2-ylmethoxy)pyridine
SMILES [?]:
c1cc(cnc1)OCC2CCN2
InChi [?]:
InChI=1/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,11,4,8,9,3,5,12,7/rA:12cCCCCNCOCCCCN/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s9s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.72771 |
Area: | 338.152 |
Solvation: | -2.72609 |
Coulombic: | -20.7452 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.48 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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