Chemical ID: 5928946

c1cc(cc(c1)O)c2c(n3cc(ccc3n2)Br)NC4CCCCC4
Chemical ID:
5928946
Name [?]:
3-(3-bromo-9-cyclohexylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenol
SMILES [?]:
c1cc(cc(c1)O)c2c(n3cc(ccc3n2)Br)NC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20BrN3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.908
Area:527.113
Solvation:-2.26982
Coulombic:-41.6205
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:386.286
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.22
LogP (Chemaxon):5.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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