Chemical ID: 7533241

COc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)Cl
Chemical ID:
7533241
Name [?]:
5-chloro-2-(3-methoxybenzoyl)amino-benzoic acid
SMILES [?]:
COc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)Cl
InChi [?]:
InChI=1/C15H12ClNO4/c1-21-11-4-2-3-9(7-11)14(18)17-13-6-5-10(16)8-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,14,13,8,16,7,15,3,17,12,9,18,21,11,10,19,20,2/E:(19,20)/rA:21nCOCCCCCCCONCCCCCCCOOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO4
All Atoms:33
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:8.64178
Area:487.903
Solvation:-3.55581
Coulombic:-56.882
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.79
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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