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Chemical ID: 4642713
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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