Chemical ID: 4561878

c1[nH]c(=O)c2c(n1)[nH]nn2
Chemical ID:
4561878
Name [?]:
3,5,7,8,9-pentazabicyclo[4.3.0]nona-4,8,10-trien-2-one
SMILES [?]:
c1[nH]c(=O)c2c(n1)[nH]nn2
InChi [?]:
InChI=1/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,6,3,7,2,10,8,9,4/rA:10nCNCOCCNNNN/rB:s1;s2;d3;s3;d5;d1s6;s6;s8;s5d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H3N5O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.53408
Area:268.545
Solvation:-2.17955
Coulombic:-34.983
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:137.1
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-1.05
LogP (Chemaxon):-0.84

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