Chemical ID: 3861764

COc1ccc(cc1O)c2c(n3ccccc3n2)NC4CCCC4
Chemical ID:
3861764
Name [?]:
5-(9-cyclopentylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)-2-methoxy-phenol
SMILES [?]:
COc1ccc(cc1O)c2c(n3ccccc3n2)NC4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.88528
Area:513.708
Solvation:-3.95742
Coulombic:-47.8849
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.389
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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