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Chemical ID: 4908341
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
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Experimental Annotations
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Descriptor Annotations
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