Chemical ID: 6530138

c1c[nH+]ccc1CCl
Chemical ID:
6530138
Name [?]:
4-(chloromethyl)-1H-pyridine
SMILES [?]:
c1c[nH+]ccc1CCl
InChi [?]:
InChI=1/C6H6ClN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,8,3/E:(1,2)(3,4)/rA:8nCCN+CCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7ClN+
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:-27.9
Area:276.603
Solvation:-34.8151
Coulombic:9.69836
Bond Count [?]
All:8
Single:5
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:128.579
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.23
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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