Chemical ID: 4356130

c1cc(ccc1SCC(=O)NC2CCCC2)Cl
Chemical ID:
4356130
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-acetamide
SMILES [?]:
c1cc(ccc1SCC(=O)NC2CCCC2)Cl
InChi [?]:
InChI=1/C13H16ClNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,2,4,1,5,8,3,12,6,9,17,11,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCSCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s12s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClNOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.40751
Area:470.844
Solvation:-2.36359
Coulombic:-22.5571
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.791
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):3.01

Name Annotations

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Descriptor Annotations

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