Chemical ID: 5157184

CC(=O)N1CCc2ccc(cc2C1)O
Chemical ID:
5157184
Name [?]:
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILES [?]:
CC(=O)N1CCc2ccc(cc2C1)O
InChi [?]:
InChI=1/C11H13NO2/c1-8(13)12-5-4-9-2-3-11(14)6-10(9)7-12/h2-3,6,14H,4-5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,6,5,11,13,2,7,12,10,4,3,14/rA:14nCCONCCCCCCCCCO/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s4s12;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.90352
Area:353.817
Solvation:-2.9419
Coulombic:-30.9975
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.0
LogP (Chemaxon):0.93

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Descriptor Annotations

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