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Chemical ID: 4701205
Chemical ID:
4701205
Name [?]:
4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILES [?]:
c1ccc(cc1)c2nc(cc(=O)s2)O
InChi [?]:
InChI=1/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-6,12H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,4,9,11,7,8,14,12,13/E:(2,3)(4,5)/rA:14nCCCCCCCNCCCOSO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;d11;s7s11;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67717 |
Area: | 366.538 |
Solvation: | -2.48629 |
Coulombic: | -31.7621 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 205.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.49 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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