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Chemical ID: 7116905
Chemical ID:
7116905
Name [?]:
2-amino-4,5-diethoxy-benzoic acid
SMILES [?]:
CCOc1cc(c(cc1OCC)N)C(=O)O
InChi [?]:
InChI=1/C11H15NO4/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,8,6,7,4,9,14,13,15,16,3,10/E:(13,14)/rA:16nCCOCCCCCCOCCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s6;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO4 |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.66499 |
Area: | 410.092 |
Solvation: | -4.5873 |
Coulombic: | -57.3665 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.241 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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