Chemical ID: 4584147

Cn1c(nnn1)c2ccco2
Chemical ID:
4584147
Name [?]:
5-(2-furyl)-1-methyl-tetrazole
SMILES [?]:
Cn1c(nnn1)c2ccco2
InChi [?]:
InChI=1/C6H6N4O/c1-10-6(7-8-9-10)5-3-2-4-11-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,3,4,5,6,2,11/rA:11nCNCNNNCCCCO/rB:s1;s2;d3;s4;s2d5;s3;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.81
Area:298.545
Solvation:-1.65363
Coulombic:-13.0931
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:-0.33
LogP (Chemaxon):0.49

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