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Chemical ID: 4558882
Chemical ID:
4558882
Name [?]:
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILES [?]:
CC1c2cc(c(cc2CCN1)O)O
InChi [?]:
InChI=1/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,7,4,2,8,3,6,5,11,12,13/rA:13cCCCCCCCCCCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s6;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.24732 |
Area: | 330.223 |
Solvation: | -3.00825 |
Coulombic: | -40.5584 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.52 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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