Chemical ID: 4606037

c1ccc(cc1)n2nc3ccc4c(c3n2)non4
Chemical ID:
4606037
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2nc3ccc4c(c3n2)non4
InChi [?]:
InChI=1/C12H7N5O/c1-2-4-8(5-3-1)17-13-9-6-7-10-12(11(9)14-17)16-18-15-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,4,9,12,14,13,8,15,18,16,7,17/E:(2,3)(4,5)/rA:18nCCCCCCNNCCCCCCNNON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s11;s12;s9s13;s7d14;d13;s16;d12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7N5O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.82767
Area:400.474
Solvation:-2.18418
Coulombic:-8.21589
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:237.217
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.95
LogP (Chemaxon):2.78

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Descriptor Annotations

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