Chemical ID: 5780397

c1ccc2c(c1)cc(o2)C(=O)Nc3ccccc3C(=O)O
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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