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Chemical ID: 3968352
Chemical ID:
3968352
Name [?]:
2-(4-methylpiperazin-1-yl)quinoline
SMILES [?]:
CN1CCN(CC1)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,10,9,3,7,4,6,11,16,8,17,2,5/E:(8,9)(10,11)/rA:17nCNCCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09295 |
Area: | 400.428 |
Solvation: | -1.91776 |
Coulombic: | -18.1478 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 227.305 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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