Chemical ID: 5154404

CCN(CC)CCC(=O)c1cccs1
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

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Descriptor Annotations

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