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Chemical ID: 5012096
Chemical ID:
5012096
Name [?]:
2-(4-pyridyl)azepane
SMILES [?]:
c1cnccc1C2CCCCCN2
InChi [?]:
InChI=1/C11H16N2/c1-2-4-11(13-7-3-1)10-5-8-12-9-6-10/h5-6,8-9,11,13H,1-4,7H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,1,5,12,2,4,6,7,3,13/E:(5,6)(8,9)/rA:13cCCNCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s7s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.19826 |
Area: | 344.267 |
Solvation: | -1.40841 |
Coulombic: | -14.1016 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.61 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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