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Chemical ID: 7221830
Chemical ID:
7221830
Name [?]:
None
SMILES [?]:
Cc1ccn(n1)C(C)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C15H14N6/c1-10-7-8-20(18-10)11(2)14-17-15-12-5-3-4-6-13(12)16-9-21(15)19-14/h3-9,11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,15,13,16,3,4,19,2,7,12,17,9,11,18,10,6,21,5,20/rA:21cCCCCNNCCCNCCCCCCCNCNN/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N6 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.03192 |
Area: | 467.053 |
Solvation: | -2.64441 |
Coulombic: | -21.6918 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 278.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.24 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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