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Chemical ID: 7426147
Chemical ID:
7426147
Name [?]:
N-(2-chlorophenyl)-2-(2-naphthylsulfanyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)SCC(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNOS/c19-16-7-3-4-8-17(16)20-18(21)12-22-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,10,3,20,17,8,7,5,12,9,4,6,21,16,13,22,15,14,11/rA:22nCCCCCCCCCCSCCONCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNOS |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5657 |
Area: | 527.534 |
Solvation: | -2.62268 |
Coulombic: | -23.9557 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.829 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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