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Chemical ID: 5278863
Chemical ID:
5278863
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2CN(CN3)C4CCCCCC4
InChi [?]:
InChI=1/C16H22N4/c1-2-4-8-13(7-3-1)19-11-17-16-18-14-9-5-6-10-15(14)20(16)12-19/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,16,19,1,2,15,20,6,3,12,10,14,5,4,8,13,7,11,9/E:(1,2)(3,4)(7,8)/rA:20cCCCCCCNCNCNCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.96932 |
Area: | 444.703 |
Solvation: | -2.14825 |
Coulombic: | -30.1406 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 270.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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