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Chemical ID: 5631714
Chemical ID:
5631714
Name [?]:
(4-hexylcyclohexyl)-morpholino-methanone
SMILES [?]:
CCCCCCC1CCC(CC1)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C17H31NO2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17(19)18-11-13-20-14-12-18/h15-16H,2-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,8,12,9,11,16,20,17,19,7,10,13,15,14,18/E:(7,8)(9,10)(11,12)(13,14)/rA:20nCCCCCCCCCCCCCONCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H31NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91422 |
Area: | 513.646 |
Solvation: | -2.92692 |
Coulombic: | -26.0759 |
Bond Count [?]
All: | 21 |
Single: | 20 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.72 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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