Chemical ID: 6694275

COC1(COc2ccccc2O1)C3=NCCN3
Chemical ID:
6694275
Name [?]:
2-(8-methoxy-7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-yl)-4,5-dihydro-1H-imidazole
SMILES [?]:
COC1(COc2ccccc2O1)C3=NCCN3
InChi [?]:
InChI=1/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,15,16,4,6,11,13,3,14,17,2,5,12/E:(6,7)(13,14)/rA:17cCOCCOCCCCCCOCNCCN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s3;d13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:5.84255
Area:388.028
Solvation:-3.85816
Coulombic:-45.9662
Bond Count [?]
All:19
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.251
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.81
LogP (Chemaxon):1.86

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