Chemical ID: 4760015

COc1cccc(c1C(=O)NCC(=O)O)O
Chemical ID:
4760015
Name [?]:
2-(2-hydroxy-6-methoxy-benzoyl)aminoacetic acid
SMILES [?]:
COc1cccc(c1C(=O)NCC(=O)O)O
InChi [?]:
InChI=1/C10H11NO5/c1-16-7-4-2-3-6(12)9(7)10(15)11-5-8(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,7,3,13,8,9,11,16,14,15,10,2/E:(13,14)/rA:16nCOCCCCCCCONCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s13;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO5
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.51817
Area:404.752
Solvation:-4.60062
Coulombic:-70.9822
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.198
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.75
LogP (Chemaxon):0.6

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Descriptor Annotations

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