Chemical ID: 5068837

CCC(=O)Nc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
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

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Descriptor Annotations

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