Chemical ID: 6322086

CCCCSc1ccc(cc1)NC(=O)CCl
Chemical ID:
6322086
Name [?]:
N-(4-butylsulfanylphenyl)-2-chloro-acetamide
SMILES [?]:
CCCCSc1ccc(cc1)NC(=O)CCl
InChi [?]:
InChI=1/C12H16ClNOS/c1-2-3-8-16-11-6-4-10(5-7-11)14-12(15)9-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,10,7,11,4,15,9,6,13,16,12,14,5/E:(4,5)(6,7)/rA:16nCCCCSCCCCCCNCOCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.02475
Area:465.636
Solvation:-2.61616
Coulombic:-21.8708
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.78
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.54
LogP (Chemaxon):3.72

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Descriptor Annotations

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