Chemical ID: 4760307

c1cc(cc(c1)C#N)CSc2nccc(n2)O
Chemical ID:
4760307
Name [?]:
3-[(4-hydroxypyrimidin-2-yl)sulfanylmethyl]benzonitrile
SMILES [?]:
c1cc(cc(c1)C#N)CSc2nccc(n2)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H9N3OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.29626
Area:442.815
Solvation:-2.77411
Coulombic:-32.4298
Bond Count [?]
All:18
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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