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Chemical ID: 4727272
Chemical ID:
4727272
Name [?]:
[5-(2-methylthiazol-4-yl)isoxazol-3-yl]methanol
SMILES [?]:
Cc1nc(cs1)c2cc(no2)CO
InChi [?]:
InChI=1/C8H8N2O2S/c1-5-9-7(4-13-5)8-2-6(3-11)10-12-8/h2,4,11H,3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,5,2,9,4,7,3,10,13,11,6/rA:13nCCNCCSCCCNOCO/rB:s1;d2;s3;d4;s2s5;s4;d7;s8;d9;s7s10;s9;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5756 |
Area: | 364.766 |
Solvation: | -2.54354 |
Coulombic: | -26.1456 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 196.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.56 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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