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Chemical ID: 6507180
Chemical ID:
6507180
Name [?]:
4-methyl-2-(2-phenylthiazol-4-yl)-phenol
SMILES [?]:
Cc1ccc(c(c1)c2csc(n2)c3ccccc3)O
InChi [?]:
InChI=1/C16H13NOS/c1-11-7-8-15(18)13(9-11)14-10-19-16(17-14)12-5-3-2-4-6-12/h2-10,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,4,7,9,2,13,6,8,5,11,12,19,10/E:(3,4)(5,6)/rA:19nCCCCCCCCCSCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8989 |
Area: | 448.27 |
Solvation: | -2.30786 |
Coulombic: | -24.2111 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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