Chemical ID: 4916013

c1(=O)[nH]c(=O)n2n1C(NC2=O)O
Chemical ID:
4916013
Name [?]:
4-hydroxy-1,3,5,7-tetrazabicyclo[3.3.0]octane-2,6,8-trione
SMILES [?]:
c1(=O)[nH]c(=O)n2n1C(NC2=O)O
InChi [?]:
InChI=1/C4H4N4O4/c9-1-5-2(10)8-4(12)6-3(11)7(1)8/h1,9H,(H,5,10)(H,6,11,12)
InChi Info:
AuxInfo=1/1/N:8,10,1,4,9,3,7,6,12,11,2,5/rA:12cCONCONNCNCOO/rB:d1;s1;s3;d4;s4;s1s6;s7;s8;s6s9;d10;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N4O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:3.51738
Area:300.961
Solvation:-4.00665
Coulombic:-80.241
Bond Count [?]
All:13
Single:10
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:172.099
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-2.28
LogP (Chemaxon):-0.46

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Descriptor Annotations

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