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Chemical ID: 7221724
Chemical ID:
7221724
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)Cn4cc(cn4)Cl
InChi [?]:
InChI=1/C13H9ClN6/c14-9-5-16-19(6-9)7-12-17-13-10-3-1-2-4-11(10)15-8-20(13)18-12/h1-6,8H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,18,16,14,12,17,5,4,9,7,20,13,19,8,10,15,11/rA:20nCCCCCCCNCNNCNCNCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;s15;d16;s17;s15d18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClN6 |
All Atoms: | 29 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89816 |
Area: | 465.515 |
Solvation: | -2.73972 |
Coulombic: | -21.757 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.704 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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