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Chemical ID: 4630080
Chemical ID:
4630080
Name [?]:
4-methyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccc(cc1)c2cn3ccc(cc3n2)C
InChi [?]:
InChI=1/C15H14N2/c1-11-3-5-13(6-4-11)14-10-17-8-7-12(2)9-15(17)16-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,12,11,14,9,2,13,5,8,15,16,10/E:(3,4)(5,6)/rA:17nCCCCCCCCCNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64942 |
Area: | 411.07 |
Solvation: | -1.62732 |
Coulombic: | -12.6824 |
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: | 3.73 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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