Chemical ID: 6492296

Cc1cc(nc(n1)SC(=O)c2ccc(cc2)Cl)O
Chemical ID:
6492296
Name [?]:
(4-chlorophenyl)-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-methanone
SMILES [?]:
Cc1cc(nc(n1)SC(=O)c2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C12H9ClN2O2S/c1-7-6-10(16)15-12(14-7)18-11(17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,3,2,11,14,4,9,6,17,7,5,18,10,8/E:(2,3)(4,5)/rA:18nCCCCNCNSCOCCCCCCClO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9ClN2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.25618
Area:453.308
Solvation:-3.07653
Coulombic:-37.6479
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.731
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.89
LogP (Chemaxon):3.51

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Descriptor Annotations

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