Chemical ID: 4710054

c1coc2c1-c3c(cnc(n3)N)CC2
Chemical ID:
4710054
Name [?]:
None
SMILES [?]:
c1coc2c1-c3c(cnc(n3)N)CC2
InChi [?]:
InChI=1/C10H9N3O/c11-10-12-5-6-1-2-8-7(3-4-14-8)9(6)13-10/h3-5H,1-2H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,8,7,5,4,6,10,12,9,11,3/rA:14nCCOCCCCCNCNNCC/rB:d1;s2;s3;s1d4;s5;s6;d7;s8;d9;d6s10;s10;s7;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.03277
Area:337.262
Solvation:-2.39878
Coulombic:-33.453
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.198
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.19
LogP (Chemaxon):1.13

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