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Chemical ID: 4663726
Chemical ID:
4663726
Name [?]:
2-phenoxypyridine
SMILES [?]:
c1ccc(cc1)Oc2ccccn2
InChi [?]:
InChI=1/C11H9NO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,12,4,8,13,7/E:(2,3)(6,7)/rA:13nCCCCCCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61501 |
Area: | 334.045 |
Solvation: | -1.73612 |
Coulombic: | -15.3091 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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