Chemical ID: 3965710

c1ccnc(c1)C2=NCC(=O)Nc3c2cc(cc3)Br
Chemical ID:
3965710
Name [?]:
9-bromo-6-(2-pyridyl)-2,5-diazabicyclo[5.4.0]undeca-5,7,9,11-tetraen-3-one
SMILES [?]:
c1ccnc(c1)C2=NCC(=O)Nc3c2cc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H10BrN3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.37755
Area:430.469
Solvation:-2.38418
Coulombic:-32.7463
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.153
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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