Chemical ID: 4909033

Cn1c2nnc(n2nn1)c3ccccc3
Chemical ID:
4909033
Name [?]:
8-methyl-4-phenyl-2,3,5,6,7,8-hexazabicyclo[3.3.0]octa-1,3,6-triene
SMILES [?]:
Cn1c2nnc(n2nn1)c3ccccc3
InChi [?]:
InChI=1/C9H8N6/c1-14-9-11-10-8(15(9)13-12-14)7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,10,6,3,5,4,9,8,2,7/E:(3,4)(5,6)/rA:15nCNCNNCNNNCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s7;s2d8;s6;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N6
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.89225
Area:362.15
Solvation:-1.16149
Coulombic:-14.3994
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:200.2
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.22
LogP (Chemaxon):1.54

Name Annotations

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Descriptor Annotations

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