Chemical ID: 4760305

c1cc(ccc1CSc2nccc(n2)O)Cl
Chemical ID:
4760305
Name [?]:
2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-ol
SMILES [?]:
c1cc(ccc1CSc2nccc(n2)O)Cl
InChi [?]:
InChI=1/C11H9ClN2OS/c12-9-3-1-8(2-4-9)7-16-11-13-6-5-10(15)14-11/h1-6H,7H2,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,7,6,3,13,9,16,10,14,15,8/E:(1,2)(3,4)/rA:16nCCCCCCCSCNCCCNOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9ClN2OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.51716
Area:434.751
Solvation:-2.35161
Coulombic:-29.8471
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.721
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.95
LogP (Chemaxon):3.85

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Descriptor Annotations

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