Chemical ID: 4908341

c1c(sc(n1)N2CCNC2=O)[N+](=O)[O-]
Chemical ID:
4908341
Name [?]:
1-(5-nitrothiazol-2-yl)imidazolidin-2-one
SMILES [?]:
c1c(sc(n1)N2CCNC2=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)
InChi Info:
AuxInfo=1/1/N:8,7,1,2,10,4,9,5,6,12,11,13,14,3/E:(12,13)/CRV:10.5/rA:14nCCSCNNCCNCON+OO-/rB:d1;s2;s3;s1d4;s4;s6;s7;s8;s6s9;d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.21211
Area:362.621
Solvation:-7.85342
Coulombic:-46.6714
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:214.203
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.82
LogP (Chemaxon):0.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue