Chemical ID: 6500573

c1nnn(n1)CC2CCOCO2
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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