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Chemical ID: 5234431
Chemical ID:
5234431
Name [?]:
1,3-bis(oxiran-2-ylmethyl)imidazolidin-2-one
SMILES [?]:
C1CN(C(=O)N1CC2CO2)CC3CO3
InChi [?]:
InChI=1/C9H14N2O3/c12-9-10(3-7-5-13-7)1-2-11(9)4-8-6-14-8/h7-8H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,7,11,9,13,8,12,4,6,3,5,10,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(13,14)/rA:14cCCNCONCCCOCCCO/rB:s1;s2;s3;d4;s1s4;s6;s7;s8;s8s9;s3;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.68891 |
Area: | 380.523 |
Solvation: | -5.82416 |
Coulombic: | -40.1988 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -1.3 |
LogP (Chemaxon): | -1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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