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Chemical ID: 7533241
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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Experimental Annotations
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Descriptor Annotations
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