Chemical ID: 6693931

C1(C(=O)NC(=O)NC1=O)N(=O)=O
Chemical ID:
6693931
Name [?]:
5-nitrohexahydropyrimidine-2,4,6-trione
SMILES [?]:
C1(C(=O)NC(=O)NC1=O)N(=O)=O
InChi [?]:
InChI=1/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,8,5,4,7,10,3,9,6,11,12/E:(2,3)(5,6)(8,9)(11,12)/CRV:7.5/rA:12nCCONCONCONOO/rB:s1;d2;s2;s4;d5;s5;s1s7;d8;s1;d10;d10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H3N3O5
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-2.26651
Area:304.15
Solvation:-9.87027
Coulombic:-57.766
Bond Count [?]
All:12
Single:7
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.084
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-1.77
LogP (Chemaxon):-1.15

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