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Chemical ID: 6677295

Chemical ID:

6677295

Name [?]:

4-chloro-N-(5-chloro-2,4-dimethoxy-phenyl)-butanamide

SMILES [?]:

COc1cc(c(cc1NC(=O)CCCCl)Cl)OC

InChi [?]:

InChI=1/C12H15Cl2NO3/c1-17-10-7-11(18-2)9(6-8(10)14)15-12(16)4-3-5-13/h6-7H,3-5H2,1-2H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:18,1,13,12,14,7,4,6,8,5,3,10,15,16,9,11,17,2/rA:18nCOCCCCCCNCOCCCClClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s6;s5;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₅Cl₂NO₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.42469
Area:	484.361
Solvation:	-4.68434
Coulombic:	-34.1132

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	292.158
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.68
LogP (Chemaxon):	2.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value