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Chemical ID: 6047920
Chemical ID:
6047920
Name [?]:
7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILES [?]:
c1cc2c(cc1O)CNC(C2)C(=O)O
InChi [?]:
InChI=1/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:2,1,5,11,8,3,4,6,10,12,9,7,13,14/E:(13,14)/rA:14cCCCCCCOCNCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s3s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.60253 |
Area: | 351.841 |
Solvation: | -3.1935 |
Coulombic: | -51.2424 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.46 |
LogP (Chemaxon): | -1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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