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Chemical ID: 5159873
Chemical ID:
5159873
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc3c(c2N4CCOCC4)CCCCC3
InChi [?]:
InChI=1/C19H24N2O/c1-14-6-5-8-16-18(14)20-17-9-4-2-3-7-15(17)19(16)21-10-12-22-13-11-21/h5-6,8H,2-4,7,9-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,3,18,5,22,13,17,14,16,2,10,6,9,7,11,8,12,15/E:(10,11)(12,13)/rA:22nCCCCCCCNCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s9s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09594 |
Area: | 463.239 |
Solvation: | -2.48504 |
Coulombic: | -21.3051 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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