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Chemical ID: 5327370
Chemical ID:
5327370
Name [?]:
5-(6-chloro-3-pyridyl)-9-azabicyclo[4.2.1]non-4-ene
SMILES [?]:
c1cc(ncc1C2=CCCC3CCC2N3)Cl
InChi [?]:
InChI=1/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:9,10,8,1,12,13,2,5,6,11,7,14,3,16,4,15/rA:16cCCCNCCCCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s10;s11;s12;s7s13;s11s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15ClN2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.65026 |
Area: | 397.911 |
Solvation: | -1.29751 |
Coulombic: | -15.5932 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 234.724 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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