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Chemical ID: 6447948
Chemical ID:
6447948
Name [?]:
2-chloro-3-(4-methyl-1-piperidyl)-quinoxaline
SMILES [?]:
CC1CCN(CC1)c2c(nc3ccccc3n2)Cl
InChi [?]:
InChI=1/C14H16ClN3/c1-10-6-8-18(9-7-10)14-13(15)16-11-4-2-3-5-12(11)17-14/h2-5,10H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,7,4,6,2,11,16,9,8,18,10,17,5/E:(6,7)(8,9)/rA:18nCCCCNCCCCNCCCCCCNCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16ClN3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49874 |
Area: | 425.216 |
Solvation: | -1.13165 |
Coulombic: | -21.7729 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 261.75 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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