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Chemical ID: 6322086
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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