Chemical ID: 5237290

c1ccc2c(c1)c3c(=O)[nH]ncn3n2
Chemical ID:
5237290
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
InChi [?]:
InChI=1/C9H6N4O/c14-9-8-6-3-1-2-4-7(6)12-13(8)5-10-11-9/h1-5H,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,7,8,11,10,14,13,9/rA:14nCCCCCCCCONNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;s8;s10;d11;s7s12;d4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.3593
Area:328.234
Solvation:-1.84656
Coulombic:-26.5321
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:186.17
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.17
LogP (Chemaxon):1.03

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