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Chemical ID: 7115903
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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