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Chemical ID: 4356130
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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Experimental Annotations
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Descriptor Annotations
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