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Chemical ID: 4381729
Chemical ID:
4381729
Name [?]:
4-(2-methylthiazol-4-yl)benzene-1,2-diol
SMILES [?]:
Cc1nc(cs1)c2ccc(c(c2)O)O
InChi [?]:
InChI=1/C10H9NO2S/c1-6-11-8(5-14-6)7-2-3-9(12)10(13)4-7/h2-5,12-13H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,12,5,2,7,4,10,11,3,14,13,6/rA:14nCCNCCSCCCCCCOO/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20089 |
Area: | 375.126 |
Solvation: | -3.17726 |
Coulombic: | -37.2903 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.25 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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