Chemical ID: 4584160

c1cnnc2c1-c3c(non3)CC2
Chemical ID:
4584160
Name [?]:
None
SMILES [?]:
c1cnnc2c1-c3c(non3)CC2
InChi [?]:
InChI=1/C8H6N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h3-4H,1-2H2
InChi Info:
AuxInfo=1/0/N:13,12,1,2,6,5,8,7,3,4,9,11,10/rA:13nCCNNCCCCNONCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s8;s5s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N4O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.46804
Area:316.12
Solvation:-2.43497
Coulombic:-3.24839
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:174.16
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.79
LogP (Chemaxon):-0.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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