Chemical ID: 7115903

CN(CCO)c1ccc(cc1C(=O)O)N
Chemical ID:
7115903
Name [?]:
5-amino-2-(2-hydroxyethyl-methyl-amino)-benzoic acid
SMILES [?]:
CN(CCO)c1ccc(cc1C(=O)O)N
InChi [?]:
InChI=1/C10H14N2O3/c1-12(4-5-13)9-3-2-7(11)6-8(9)10(14)15/h2-3,6,13H,4-5,11H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,7,3,4,10,9,11,6,12,15,2,5,13,14/E:(14,15)/rA:15cCNCCOCCCCCCCOON/rB:s1;s2;s3;s4;s2;s6;d7;s8;d9;d6s10;s11;d12;s12;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O3
All Atoms:29
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:4.70966
Area:372.685
Solvation:-4.60747
Coulombic:-64.3211
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:210.23
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.32
LogP (Chemaxon):-0.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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