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Chemical ID: 5281909
Chemical ID:
5281909
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(cn2)c4nc(nn4cn3)C
InChi [?]:
InChI=1/C14H11ClN6/c1-8-3-4-10(5-12(8)15)21-13-11(6-17-21)14-18-9(2)19-20(14)7-16-13/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,4,6,12,19,2,16,5,11,7,10,14,8,20,13,15,17,18,9/rA:21nCCCCCCCClNCCCNCNCNNCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86654 |
Area: | 474.491 |
Solvation: | -1.99572 |
Coulombic: | -21.8162 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 298.73 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.59 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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