Chemical ID: 4925591

Cc1c2c(n3c(n1)nnn3)Nc4ccccc4NC2=O
Chemical ID:
4925591
Name [?]:
None
SMILES [?]:
Cc1c2c(n3c(n1)nnn3)Nc4ccccc4NC2=O
InChi [?]:
InChI=1/C12H9N7O/c1-6-9-10(19-12(13-6)16-17-18-19)14-7-4-2-3-5-8(7)15-11(9)20/h2-5,14H,1H3,(H,15,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,2,12,17,3,4,19,6,7,11,18,8,9,10,5,20/rA:20nCCCCNCNNNNNCCCCCCNCO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s4;s11;s12;d13;s14;d15;d12s16;s17;s3s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N7O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.62802
Area:407.771
Solvation:-1.56626
Coulombic:-45.1407
Bond Count [?]
All:23
Single:15
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:267.246
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.18
LogP (Chemaxon):1.29

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Descriptor Annotations

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