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Chemical ID: 4119344
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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Experimental Annotations
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Descriptor Annotations
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