Chemical ID: 6678306

Cc1ccc(cc1)Nc2cc(ccc2C(=O)O)Cl
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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Descriptor Annotations

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