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Chemical ID: 6546563
Chemical ID:
6546563
Name [?]:
4-[4-(4-methoxyphenyl)thiazol-2-yl]phenol
SMILES [?]:
COc1ccc(cc1)c2csc(n2)c3ccc(cc3)O
InChi [?]:
InChI=1/C16H13NO2S/c1-19-14-8-4-11(5-9-14)15-10-20-16(17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,19,5,7,16,18,4,8,10,6,14,17,3,9,12,13,20,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:20nCOCCCCCCCCSCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58495 |
Area: | 480.719 |
Solvation: | -3.43303 |
Coulombic: | -30.8925 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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