Chemical ID: 4712860

c1cc(nc(c1)Cl)N2CCNCC2
Chemical ID:
4712860
Name [?]:
1-(6-chloro-2-pyridyl)piperazine
SMILES [?]:
c1cc(nc(c1)Cl)N2CCNCC2
InChi [?]:
InChI=1/C9H12ClN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,6,2,10,12,9,13,5,3,7,11,4,8/E:(4,5)(6,7)/rA:13nCCCNCCClNCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12ClN3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.31048
Area:355.739
Solvation:-1.58299
Coulombic:-21.6646
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.665
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):2.03

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Descriptor Annotations

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