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Chemical ID: 6334738
Chemical ID:
6334738
Name [?]:
2,2,2-trichloro-N-(1-naphthyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C12H8Cl3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,5,4,10,12,14,15,16,17,11,13/E:(13,14,15)/rA:17nCCCCCCCCCCNCOCClClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Cl3NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60029 |
Area: | 440.118 |
Solvation: | -1.40265 |
Coulombic: | -26.9672 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 288.556 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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