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Chemical ID: 4302108
Chemical ID:
4302108
Name [?]:
None
SMILES [?]:
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
InChi [?]:
InChI=1/C11H8N8/c1-7-13-9-5-3-2-4-8(9)10-14-11(15-19(7)10)18-6-12-16-17-18/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,16,2,9,4,10,13,17,3,14,12,18,19,15,11/rA:19nCCNCCCCCCCNNCNNCNNN/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;s11;d12;d10s13;s13;s15;d16;s17;s15d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8N8 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.749 |
Area: | 419.186 |
Solvation: | -1.73064 |
Coulombic: | -23.7493 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 252.235 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 0.24 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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