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Chemical ID: 5829106
Chemical ID:
5829106
Name [?]:
morpholino-(4-pentylcyclohexyl)-methanone
SMILES [?]:
CCCCCC1CCC(CC1)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C16H29NO2/c1-2-3-4-5-14-6-8-15(9-7-14)16(18)17-10-12-19-13-11-17/h14-15H,2-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,7,11,8,10,15,19,16,18,6,9,12,14,13,17/E:(6,7)(8,9)(10,11)(12,13)/rA:19nCCCCCCCCCCCCONCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H29NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25945 |
Area: | 488.675 |
Solvation: | -2.95741 |
Coulombic: | -25.7716 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.407 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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