Chemical ID: 4381729

Cc1nc(cs1)c2ccc(c(c2)O)O
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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Descriptor Annotations

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