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Chemical ID: 7474609
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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