Chemical ID: 4571698

Cc1ccc(cc1)CN2CCC3(CCCCC3C2c4ccc(c(c4)OC)O)O
Chemical ID:
4571698
Name [?]:
1-(4-hydroxy-3-methoxy-phenyl)-2-(p-tolylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILES [?]:
Cc1ccc(cc1)CN2CCC3(CCCCC3C2c4ccc(c(c4)OC)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H31NO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:4
ZAP Information [?]
Total:8.78283
Area:567.409
Solvation:-5.4024
Coulombic:-46.68
Bond Count [?]
All:31
Single:25
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.508
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.67
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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