ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5827789

Chemical ID:

5827789

Name [?]:

N-(2,4-dichlorophenyl)-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)Nc2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C14H11Cl2NO/c1-9-2-4-10(5-3-9)14(18)17-13-7-6-11(15)8-12(13)16/h2-8H,1H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,13,12,15,2,5,14,16,11,8,18,17,10,9/E:(2,3)(4,5)/rA:18nCCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁Cl₂NO
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1696
Area:	463.47
Solvation:	-1.41714
Coulombic:	-24.321

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	280.149
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.67
LogP (Chemaxon):	3.96

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