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Chemical ID: 5167326
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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