Chemical ID: 5110699

c1ccc(c(c1)C(=O)NCc2ccco2)C(=O)O
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

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Experimental Annotations

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Descriptor Annotations

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