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Chemical ID: 5023138
Chemical ID:
5023138
Name [?]:
(1-methylcyclohexyl)-morpholino-methanone
SMILES [?]:
CC1(CCCCC1)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H21NO2/c1-12(5-3-2-4-6-12)11(14)13-7-9-15-10-8-13/h2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,3,7,11,15,12,14,8,2,10,9,13/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCCONCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s2;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25289 |
Area: | 362.784 |
Solvation: | -2.8167 |
Coulombic: | -24.8869 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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