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Chemical ID: 5147745
Chemical ID:
5147745
Name [?]:
None
SMILES [?]:
CN1c2ccccc2N=C3C1=Nc4ccccc4N3C
InChi [?]:
InChI=1/C16H14N4/c1-19-13-9-5-3-7-11(13)18-16-15(19)17-12-8-4-6-10-14(12)20(16)2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,6,15,5,16,7,14,4,17,8,13,3,18,11,10,12,9,2,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCNCCCCCCNCCNCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78359 |
Area: | 426.049 |
Solvation: | -1.86764 |
Coulombic: | -27.5281 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 262.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.19 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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