ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6322952

Chemical ID:

6322952

Name [?]:

2,5-dichloro-N-(p-tolyl)benzamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,3,7,14,4,6,15,12,2,13,5,11,16,9,18,17,8,10/E:(2,3)(5,6)/rA:18nCCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.34547
Area:	457.581
Solvation:	-2.09405
Coulombic:	-22.814

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):	4.61

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