Chemical ID: 4642713

Cc1ccc(cc1)c2cn3cccc(c3n2)C
Chemical ID:
4642713
Name [?]:
5-methyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccc(cc1)c2cn3cccc(c3n2)C
InChi [?]:
InChI=1/C15H14N2/c1-11-5-7-13(8-6-11)14-10-17-9-3-4-12(2)15(17)16-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,12,13,3,7,4,6,11,9,2,14,5,8,15,16,10/E:(5,6)(7,8)/rA:17nCCCCCCCCCNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.60456
Area:408.751
Solvation:-1.6142
Coulombic:-12.9133
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:222.285
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.52
LogP (Chemaxon):4.36

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Descriptor Annotations

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