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Chemical ID: 6693464
Chemical ID:
6693464
Name [?]:
2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-yl)-4,5-dihydro-1H-imidazole
SMILES [?]:
c1ccc2c(c1)OCC(O2)C3=NCCN3
InChi [?]:
InChI=1/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,8,5,4,9,11,12,15,7,10/E:(5,6)(12,13)/rA:15cCCCCCCOCCOCNCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.26906 |
Area: | 364.084 |
Solvation: | -2.83305 |
Coulombic: | -35.1986 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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