Chemical ID: 5157238

CC(C)C(c1cncc2c1cccc2)O
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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