Chemical ID: 4567758

CC12CCCCC1CCC3C2CCC4(C3CCC4(CN=Cc5cc(ccc5O)Br)O)C
Chemical ID:
4567758
Name [?]:
17-[(5-bromo-2-hydroxy-phenyl)methyleneaminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
SMILES [?]:
CC12CCCCC1CCC3C2CCC4(C3CCC4(CN=Cc5cc(ccc5O)Br)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H38BrNO2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:7
ZAP Information [?]
Total:12.6242
Area:631.298
Solvation:-3.15826
Coulombic:-41.5178
Bond Count [?]
All:35
Single:31
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:488.5
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:7.83
LogP (Chemaxon):6.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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