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Chemical ID: 6576091
Chemical ID:
6576091
Name [?]:
2-(4-chlorophenyl)sulfanyl-1-(2-ethyl-1-piperidyl)-ethanone
SMILES [?]:
CCC1CCCCN1C(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H20ClNOS/c1-2-13-5-3-4-10-17(13)15(18)11-19-14-8-6-12(16)7-9-14/h6-9,13H,2-5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,15,17,14,18,7,11,16,3,13,9,19,8,10,12/E:(6,7)(8,9)/rA:19cCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20ClNOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0084 |
Area: | 492.082 |
Solvation: | -2.29365 |
Coulombic: | -18.1842 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.844 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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