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Chemical ID: 5157238
Chemical ID:
5157238
Name [?]:
1-(4-isoquinolyl)-2-methyl-propan-1-ol
SMILES [?]:
CC(C)C(c1cncc2c1cccc2)O
InChi [?]:
InChI=1/C13H15NO/c1-9(2)13(15)12-8-14-7-10-5-3-4-6-11(10)12/h3-9,13,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,14,11,8,6,2,9,10,5,4,7,15/E:(1,2)/rA:15cCCCCCCNCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.7982 |
Area: | 362.692 |
Solvation: | -2.26911 |
Coulombic: | -23.3918 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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