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Chemical ID: 5068837
Chemical ID:
5068837
Name [?]:
N-(2,3,4,5,6-pentachlorophenyl)propanamide
SMILES [?]:
CCC(=O)Nc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C9H6Cl5NO/c1-2-3(16)15-9-7(13)5(11)4(10)6(12)8(9)14/h2H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,11,6,14,15,13,16,12,5,4/E:(5,6)(7,8)(11,12)(13,14)/rA:16nCCCONCCCCCCClClClClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s10;s9;s8;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6Cl5NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11342 |
Area: | 446.504 |
Solvation: | -2.0492 |
Coulombic: | -20.0853 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 321.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.64 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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