Chemical ID: 5327370

c1cc(ncc1C2=CCCC3CCC2N3)Cl
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

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