Chemical ID: 4945128

c1cc(cnc1)[OH2+]
Chemical ID:
4945128
Name [?]:
3-pyridyloxonium
SMILES [?]:
c1cc(cnc1)[OH2+]
InChi [?]:
InChI=1/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,7/rA:7nCCCCNCO+/rB:s1;d2;s3;d4;d1s5;s3;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C5H6NO+
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:-35.7837
Area:233.098
Solvation:-41.6112
Coulombic:-28.8986
Bond Count [?]
All:7
Single:4
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:96.1073
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.36
LogP (Chemaxon):0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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