Chemical ID: 5373805

Cn1cnnc1SCC(=O)Nc2cccc(c2)O
Chemical ID:
5373805
Name [?]:
N-(3-hydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
Cn1cnnc1SCC(=O)Nc2cccc(c2)O
InChi [?]:
InChI=1/C11H12N4O2S/c1-15-7-12-14-11(15)18-6-10(17)13-8-3-2-4-9(16)5-8/h2-5,7,16H,6H2,1H3,(H,13,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,17,8,3,12,16,9,6,4,11,5,2,18,10,7/rA:18nCNCNNCSCCONCCCCCCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.4845
Area:451.657
Solvation:-3.80693
Coulombic:-46.2605
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.305
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):0.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue