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Chemical ID: 4561878
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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