Chemical ID: 7378778

c1cc(c(cc1Cl)SCC(=O)NC2CCCC2)Cl
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

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Descriptor Annotations

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