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Chemical ID: 6500573
Chemical ID:
6500573
Name [?]:
2-(1,3-dioxan-4-ylmethyl)tetrazole
SMILES [?]:
c1nnn(n1)CC2CCOCO2
InChi [?]:
InChI=1/C6H10N4O2/c1-2-11-5-12-6(1)3-10-8-4-7-9-10/h4,6H,1-3,5H2
InChi Info:
AuxInfo=1/0/N:8,9,6,1,11,7,2,5,3,4,10,12/rA:12cCNNNNCCCCOCO/rB:s1;d2;s3;d1s4;s4;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N4O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.4367 |
Area: | 323.002 |
Solvation: | -4.63836 |
Coulombic: | -17.9534 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.169 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.1 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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