Chemical ID: 4084752

c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
Chemical ID:
4084752
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
InChi [?]:
InChI=1/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)11-10-12-14-15-16(10)13-7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,8,16,10,9,11,15,12,13,14,17/rA:17nCCCCCCCCNCNNNNNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s11;d12;s10s13;d7s14;s4s8;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H4N6O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.57601
Area:373.777
Solvation:-1.76841
Coulombic:-22.3327
Bond Count [?]
All:20
Single:12
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:224.179
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.4
LogP (Chemaxon):1.24

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