Chemical ID: 4558882

CC1c2cc(c(cc2CCN1)O)O
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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