Chemical ID: 6507180

Cc1ccc(c(c1)c2csc(n2)c3ccccc3)O
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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