Chemical ID: 6576091

CCC1CCCCN1C(=O)CSc2ccc(cc2)Cl
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

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Descriptor Annotations

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