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Chemical ID: 7161631
Chemical ID:
7161631
Name [?]:
5-(2-furyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1cc(oc1)c2ccnc3n2ncc3
InChi [?]:
InChI=1/C10H7N3O/c1-2-9(14-7-1)8-3-5-11-10-4-6-12-13(8)10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,7,14,8,13,5,6,3,10,9,12,11,4/rA:14nCCCOCCCCNCNNCC/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s9;s6s10;s11;d12;d10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3O |
All Atoms: | 21 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.64817 |
Area: | 338.935 |
Solvation: | -3.82521 |
Coulombic: | -15.0126 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 185.182 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 0.96 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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