Chemical ID: 3873770

c1cc(c(cc1O)O)c2c(n3cc(ccc3n2)Br)NC4CCCC4
Chemical ID:
3873770
Name [?]:
4-(3-bromo-9-cyclopentylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)benzene-1,3-diol
SMILES [?]:
c1cc(c(cc1O)O)c2c(n3cc(ccc3n2)Br)NC4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18BrN3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.58408
Area:513.371
Solvation:-3.2502
Coulombic:-55.9456
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:388.259
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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