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Chemical ID: 5154404
Chemical ID:
5154404
Name [?]:
3-diethylamino-1-(2-thienyl)propan-1-one
SMILES [?]:
CCN(CC)CCC(=O)c1cccs1
InChi [?]:
InChI=1/C11H17NOS/c1-3-12(4-2)8-7-10(13)11-6-5-9-14-11/h5-6,9H,3-4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,11,7,6,13,8,10,3,9,14/E:(1,2)(3,4)/rA:14nCCNCCCCCOCCCCS/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67567 |
Area: | 413.542 |
Solvation: | -1.66288 |
Coulombic: | -14.2243 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 211.325 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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