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Chemical ID: 4687220
Chemical ID:
4687220
Name [?]:
4-[1-propyl-1-(2-thienyl)butyl]morpholine
SMILES [?]:
CCCC(CCC)(c1cccs1)N2CCOCC2
InChi [?]:
InChI=1/C15H25NOS/c1-3-7-15(8-4-2,14-6-5-13-18-14)16-9-11-17-12-10-16/h5-6,13H,3-4,7-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,10,9,3,5,14,18,15,17,11,8,4,13,16,12/E:(1,2)(3,4)(7,8)(9,10)(11,12)/rA:18nCCCCCCCCCCCSNCCOCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s9;d10;s8s11;s4;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NOS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49928 |
Area: | 432.402 |
Solvation: | -2.31076 |
Coulombic: | -16.0979 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.431 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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