ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7303516

Chemical ID:

7303516

Name [?]:

2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)acetamide

SMILES [?]:

CNC(=O)NC(=O)COc1cc(ccc1Cl)Cl

InChi [?]:

InChI=1/C10H10Cl2N2O3/c1-13-10(16)14-9(15)5-17-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H2,13,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,13,14,11,8,12,15,10,6,3,17,16,2,5,7,4,9/rA:17nCNCONCOCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₀Cl₂N₂O₃
All Atoms:	27
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	5.49653
Area:	462.788
Solvation:	-6.07318
Coulombic:	-48.0902

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.103
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.44
LogP (Chemaxon):	1.48

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