Chemical ID: 4767145

c1cc(oc1)S(=O)(=O)CC#N
Chemical ID:
4767145
Name [?]:
2-(2-furylsulfonyl)acetonitrile
SMILES [?]:
c1cc(oc1)S(=O)(=O)CC#N
InChi [?]:
InChI=1/C6H5NO3S/c7-3-5-11(8,9)6-2-1-4-10-6/h1-2,4H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,10,5,9,3,11,7,8,4,6/E:(8,9)/CRV:11.6/rA:11nCCCOCSOOCCN/rB:s1;d2;s3;d1s4;s3;d6;d6;s6;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5NO3S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.87855
Area:324.826
Solvation:-4.2421
Coulombic:-12.0638
Bond Count [?]
All:11
Single:6
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.175
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.53
LogP (Chemaxon):0.2

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Descriptor Annotations

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