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Chemical ID: 6678306
Chemical ID:
6678306
Name [?]:
4-chloro-2-(p-tolylamino)benzoic acid
SMILES [?]:
Cc1ccc(cc1)Nc2cc(ccc2C(=O)O)Cl
InChi [?]:
InChI=1/C14H12ClNO2/c1-9-2-5-11(6-3-9)16-13-8-10(15)4-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,12,4,6,13,10,2,11,5,14,9,15,18,8,16,17/E:(2,3)(5,6)(17,18)/rA:18nCCCCCCCNCCCCCCCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80793 |
Area: | 434.907 |
Solvation: | -2.06474 |
Coulombic: | -39.9534 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.703 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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