Chemical ID: 5574616

C[NH+]1CCc2cc(c(cc2C1)O)OC
Chemical ID:
5574616
Name [?]:
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILES [?]:
C[NH+]1CCc2cc(c(cc2C1)O)OC
InChi [?]:
InChI=1/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,4,3,9,6,11,5,10,8,7,2,12,13/rA:14cCN+CCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s8;s7;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16NO2+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-26.5231
Area:354.983
Solvation:-35.3977
Coulombic:9.03379
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.25
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.13
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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