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Chemical ID: 5780397
Chemical ID:
5780397
Name [?]:
2-benzofuran-2-ylcarbonylaminobenzoic acid
SMILES [?]:
c1ccc2c(c1)cc(o2)C(=O)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C16H11NO4/c18-15(14-9-10-5-1-4-8-13(10)21-14)17-12-7-3-2-6-11(12)16(19)20/h1-9H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,2,6,17,14,3,7,5,18,13,4,8,10,19,12,11,20,21,9/E:(19,20)/rA:21nCCCCCCCCOCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85936 |
Area: | 460.536 |
Solvation: | -2.65404 |
Coulombic: | -59.6345 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.263 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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