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Chemical ID: 6727816
Chemical ID:
6727816
Name [?]:
2-(3-benzyl-2-oxo-imidazolidin-1-yl)acetate
SMILES [?]:
c1ccc(cc1)CN2CCN(C2=O)CC(=O)[O-]
InChi [?]:
InChI=1/C12H14N2O3/c15-11(16)9-14-7-6-13(12(14)17)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,7,14,4,15,12,8,11,16,17,13/E:(2,3)(4,5)(15,16)/rA:17nCCCCCCCNCCNCOCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;d12;s11;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N2O3- |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.3856 |
Area: | 410.174 |
Solvation: | -45.6399 |
Coulombic: | -24.9319 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.04 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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