Chemical ID: 6047920

c1cc2c(cc1O)CNC(C2)C(=O)O
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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