Chemical ID: 6152276

CNCCCOc1cccc2c1OCCO2
Chemical ID:
6152276
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yloxy)-N-methyl-propan-1-amine
SMILES [?]:
CNCCCOc1cccc2c1OCCO2
InChi [?]:
InChI=1/C12H17NO3/c1-13-6-3-7-14-10-4-2-5-11-12(10)16-9-8-15-11/h2,4-5,13H,3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,4,8,10,3,5,15,14,7,11,12,2,6,16,13/rA:16nCNCCCOCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.78076
Area:415.237
Solvation:-4.60016
Coulombic:-32.4059
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.53
LogP (Chemaxon):0.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue