Chemical ID: 4577706

CCCCCOc1ccc(cc1)C(=O)N2CCC3(CCCCC3C2)O
Chemical ID:
4577706
Name [?]:
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-pentoxyphenyl)-methanone
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)N2CCC3(CCCCC3C2)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H31NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.4505
Area:575.22
Solvation:-3.93001
Coulombic:-43.2117
Bond Count [?]
All:27
Single:23
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.476
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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