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Chemical ID: 4712860
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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