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Chemical ID: 4925261
Chemical ID:
4925261
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Cn3c(cnn3)C=N2
InChi [?]:
InChI=1/C10H8N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,10,7,5,9,4,14,11,12,8/rA:14nCCCCCCCNCCNNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s8d11;s9;s4d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.9939 |
Area: | 332.317 |
Solvation: | -2.31402 |
Coulombic: | -8.68412 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 184.197 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.64 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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