Chemical ID: 5606872

c1ccc2c(c1)c3c([nH]2)ncnn3
Chemical ID:
5606872
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)ncnn3
InChi [?]:
InChI=1/C9H6N4/c1-2-4-7-6(3-1)8-9(12-7)10-5-11-13-8/h1-5H,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,5,4,7,8,10,12,9,13/rA:13nCCCCCCCCNNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d8;s10;d11;d7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.4518
Area:317.025
Solvation:-1.47382
Coulombic:-21.7406
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.171
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.71
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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