Chemical ID: 6693683

CC1c2cc(c(cc2CCN1C)O)O
Chemical ID:
6693683
Name [?]:
1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
SMILES [?]:
CC1c2cc(c(cc2CCN1C)O)O
InChi [?]:
InChI=1/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,9,10,7,4,2,8,3,6,5,11,13,14/rA:14cCCCCCCCCCCNCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s6;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:5.67049
Area:348.615
Solvation:-3.04488
Coulombic:-36.9934
Bond Count [?]
All:15
Single:12
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.76
LogP (Chemaxon):1.61

Name Annotations

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Descriptor Annotations

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