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Chemical ID: 3966451
Chemical ID:
3966451
Name [?]:
None
SMILES [?]:
CN(C)CCC=C1c2ccccc2COc3c1cccc3
InChi [?]:
InChI=1/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,19,20,5,12,9,18,6,21,4,14,13,8,7,17,16,2,15/E:(1,2)/rA:21nCNCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45979 |
Area: | 473.376 |
Solvation: | -2.3746 |
Coulombic: | -16.4177 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 279.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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