Chemical ID: 4119344

c1cc(cc(c1)N(CCO)CCO)C(=O)O
Chemical ID:
4119344
Name [?]:
3-[bis(2-hydroxyethyl)amino]benzoic acid
SMILES [?]:
c1cc(cc(c1)N(CCO)CCO)C(=O)O
InChi [?]:
InChI=1/C11H15NO4/c13-6-4-12(5-7-14)10-3-1-2-9(8-10)11(15)16/h1-3,8,13-14H,4-7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,11,9,12,4,3,5,14,7,10,13,15,16/E:(4,5)(6,7)(13,14)(15,16)/rA:16nCCCCCCNCCOCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7;s11;s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.79123
Area:408.526
Solvation:-4.42191
Coulombic:-66.6032
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.241
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.43
LogP (Chemaxon):0.94

Name Annotations

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Descriptor Annotations

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