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Chemical ID: 4647049
Chemical ID:
4647049
Name [?]:
None
SMILES [?]:
Cc1cc2ncn3c4ccccc4nc3n2n1
InChi [?]:
InChI=1/C12H9N5/c1-8-6-11-13-7-16-10-5-3-2-4-9(10)14-12(16)17(11)15-8/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,3,6,2,13,8,4,15,5,14,17,7,16/rA:17nCCCCNCNCCCCCCNCNN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s4s15;d2s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9N5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21982 |
Area: | 380.94 |
Solvation: | -2.30367 |
Coulombic: | -23.353 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 223.234 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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