Chemical ID: 7437728

c1cnccc1c2nnn(n2)CCOCCn3nc(nn3)c4ccncc4
Chemical ID:
7437728
Name [?]:
4-[2-[2-[2-[5-(4-pyridyl)tetrazol-2-yl]ethoxy]ethyl]tetrazol-5-yl]pyridine
SMILES [?]:
c1cnccc1c2nnn(n2)CCOCCn3nc(nn3)c4ccncc4
InChi [?]:
InChI=1/C16H16N10O/c1-5-17-6-2-13(1)15-19-23-25(21-15)9-11-27-12-10-26-22-16(20-24-26)14-3-7-18-8-4-14/h1-8H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,5,23,27,2,4,24,26,12,16,13,15,6,22,7,19,3,25,8,20,11,18,9,21,10,17,14/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:27nCCNCCCCNNNNCCOCCNNCNNCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s10;s12;s13;s14;s15;s16;s17;d18;s19;s17d20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N10O
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3086
Area:619.342
Solvation:-4.17497
Coulombic:-27.5648
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:364.365
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.53
LogP (Chemaxon):0.17

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Descriptor Annotations

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