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Chemical ID: 5574616
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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