Chemical ID: 6701004

c1ccc2c(c1)cc(o2)C(=O)Nc3cccc(c3)C(=O)[O-]
Chemical ID:
6701004
Name [?]:
3-benzofuran-2-ylcarbonylaminobenzoate
SMILES [?]:
c1ccc2c(c1)cc(o2)C(=O)Nc3cccc(c3)C(=O)[O-]
InChi [?]:
InChI=1/C16H11NO4/c18-15(14-9-10-4-1-2-7-13(10)21-14)17-12-6-3-5-11(8-12)16(19)20/h1-9H,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,15,6,16,14,3,18,7,5,17,13,4,8,10,19,12,11,20,21,9/E:(19,20)/rA:21nCCCCCCCCOCONCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10NO4-
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-33.8528
Area:469.822
Solvation:-45.5984
Coulombic:-30.5136
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.255
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.18
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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