Chemical ID: 5223654

c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
Chemical ID:
5223654
Name [?]:
9-phenoxy-6,8,10-triazabicyclo[4.4.0]deca-2,4,8,10-tetraen-7-one
SMILES [?]:
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
InChi [?]:
InChI=1/C13H9N3O2/c17-13-15-12(18-10-6-2-1-3-7-10)14-11-8-4-5-9-16(11)13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,4,10,8,16,9,18,15,17,7/E:(2,3)(6,7)/rA:18nCCCCCCOCNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s12;d13;s10s14;s15;d16;d8s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.27741
Area:402.044
Solvation:-1.77369
Coulombic:-42.2865
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.23
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.85
LogP (Chemaxon):3.09

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