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Chemical ID: 6506990
Chemical ID:
6506990
Name [?]:
4-(4-pyridyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-ol
SMILES [?]:
c1cnccc1c2cnc3cc(nn3c2)O
InChi [?]:
InChI=1/C11H8N4O/c16-11-5-10-13-6-9(7-15(10)14-11)8-1-3-12-4-2-8/h1-7H,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,8,15,6,7,10,12,3,9,13,14,16/E:(1,2)(3,4)/rA:16nCCNCCCCCNCCCNNCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s11;d12;s10s13;d7s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8N4O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.17923 |
Area: | 379.917 |
Solvation: | -3.3187 |
Coulombic: | -30.4067 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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