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Chemical ID: 4583847
Chemical ID:
4583847
Name [?]:
N-(2-furylmethyl)-9-methyl-4,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine
SMILES [?]:
Cn1c2ccnc(c2nn1)NCc3ccco3
InChi [?]:
InChI=1/C11H11N5O/c1-16-9-4-5-12-11(10(9)14-15-16)13-7-8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,15,14,4,5,16,12,13,3,8,7,6,11,9,10,2,17/rA:17nCNCCCNCCNNNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s7;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N5O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94186 |
Area: | 412.544 |
Solvation: | -3.37173 |
Coulombic: | -27.482 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.47 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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