Chemical ID: 5167326

c1cc(ccc1Nc2cc(ccc2C(=O)O)Cl)Cl
Chemical ID:
5167326
Name [?]:
4-chloro-2-(4-chlorophenyl)amino-benzoic acid
SMILES [?]:
c1cc(ccc1Nc2cc(ccc2C(=O)O)Cl)Cl
InChi [?]:
InChI=1/C13H9Cl2NO2/c14-8-1-4-10(5-2-8)16-12-7-9(15)3-6-11(12)13(17)18/h1-7,16H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,4,11,1,5,12,9,3,10,6,13,8,14,18,17,7,15,16/E:(1,2)(4,5)(17,18)/rA:18nCCCCCCNCCCCCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s10;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9Cl2NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.20712
Area:448.916
Solvation:-2.01579
Coulombic:-40.2919
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.121
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):4.5

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