Chemical ID: 7474609

COCCNC(=O)c1ccccc1C(=O)O
Chemical ID:
7474609
Name [?]:
2-(2-methoxyethylcarbamoyl)benzoic acid
SMILES [?]:
COCCNC(=O)c1ccccc1C(=O)O
InChi [?]:
InChI=1/C11H13NO4/c1-16-7-6-12-10(13)8-4-2-3-5-9(8)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,4,3,8,13,6,14,5,7,15,16,2/E:(14,15)/rA:16nCOCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.84603
Area:408.535
Solvation:-4.36735
Coulombic:-56.2219
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.85
LogP (Chemaxon):0.3

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Descriptor Annotations

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