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Chemical ID: 5574372
Chemical ID:
5574372
Name [?]:
6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILES [?]:
CC1c2cc(c(cc2CCN1C)OC)O
InChi [?]:
InChI=1/C12H17NO2/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,14,9,10,7,4,2,8,3,5,6,11,15,13/rA:15cCCCCCCCCCCNCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s6;s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.69808 |
Area: | 369.366 |
Solvation: | -3.53607 |
Coulombic: | -28.2299 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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