Chemical ID: 5061436

Cc1ccc2nc(nn2c1)c3ccccc3
Chemical ID:
5061436
Name [?]:
4-methyl-8-phenyl-6,7,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
Cc1ccc2nc(nn2c1)c3ccccc3
InChi [?]:
InChI=1/C13H11N3/c1-10-7-8-12-14-13(15-16(12)9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,3,4,10,2,11,5,7,6,8,9/E:(3,4)(5,6)/rA:16nCCCCCNCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s7;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.25767
Area:385.225
Solvation:-1.37295
Coulombic:-13.9601
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.247
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.56
LogP (Chemaxon):3.92

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Descriptor Annotations

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