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Chemical ID: 5849180
Chemical ID:
5849180
Name [?]:
2,2-dichloro-N-(2-naphthyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)C(Cl)Cl
InChi [?]:
InChI=1/C12H9Cl2NO/c13-11(14)12(16)15-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,5,9,4,6,14,12,15,16,11,13/E:(13,14)/rA:16nCCCCCCCCCCNCOCClCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Cl2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13494 |
Area: | 419.367 |
Solvation: | -2.34924 |
Coulombic: | -23.2172 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.111 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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