ChemDB: Chemical Search
Download
Chemical ID: 5110699
Chemical ID:
5110699
Name [?]:
2-(2-furylmethylcarbamoyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2ccco2)C(=O)O
InChi [?]:
InChI=1/C13H11NO4/c15-12(14-8-9-4-3-7-18-9)10-5-1-2-6-11(10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,10,11,5,4,7,16,9,8,17,18,15/E:(16,17)/rA:18nCCCCCCCONCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;s11s14;s4;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63072 |
Area: | 430.096 |
Solvation: | -4.12167 |
Coulombic: | -55.2626 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|