Chemical ID: 6693464

c1ccc2c(c1)OCC(O2)C3=NCCN3
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

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