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Chemical ID: 7378778
Chemical ID:
7378778
Name [?]:
N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanyl-acetamide
SMILES [?]:
c1cc(c(cc1Cl)SCC(=O)NC2CCCC2)Cl
InChi [?]:
InChI=1/C13H15Cl2NOS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,16,14,17,1,2,5,9,6,13,3,4,10,7,18,12,11,8/E:(1,2)(3,4)/rA:18nCCCCCCClSCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s10;s12;s13;s14;s15;s13s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15Cl2NOS |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94291 |
Area: | 499.451 |
Solvation: | -2.54336 |
Coulombic: | -22.3615 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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