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Chemical ID: 4453672
Chemical ID:
4453672
Name [?]:
2-(3-chloro-4-methoxy-benzoyl)aminobenzoic acid
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2ccccc2C(=O)O
InChi [?]:
InChI=1/C15H12ClNO4/c1-21-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,5,4,7,6,18,8,13,3,10,19,9,12,11,20,21,2/E:(19,20)/rA:21nCOCCCCCCClCONCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47683 |
Area: | 483.238 |
Solvation: | -3.60413 |
Coulombic: | -57.3432 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.713 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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