Chemical ID: 7028249

c1ccc2c(c1)C=CNC2CC(=O)O
Chemical ID:
7028249
Name [?]:
2-(1,2-dihydroisoquinolin-1-yl)acetic acid
SMILES [?]:
c1ccc2c(c1)C=CNC2CC(=O)O
InChi [?]:
InChI=1/C11H11NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6,10,12H,7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,11,5,4,10,12,9,13,14/E:(13,14)/rA:14cCCCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:25
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.41274
Area:350.153
Solvation:-2.34108
Coulombic:-37.9624
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.58
LogP (Chemaxon):-0.78

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