Chemical ID: 4943918

c1ccc(c(c1)C=CC(=O)c2cccs2)O
Chemical ID:
4943918
Name [?]:
3-(2-hydroxyphenyl)-1-(2-thienyl)prop-2-en-1-one
SMILES [?]:
c1ccc(c(c1)C=CC(=O)c2cccs2)O
InChi [?]:
InChI=1/C13H10O2S/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H
InChi Info:
AuxInfo=1/0/N:1,2,13,6,3,12,7,8,14,5,4,9,11,16,10,15/rA:16nCCCCCCCCCOCCCCSO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;d11;s12;d13;s11s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.59223
Area:400.42
Solvation:-2.41826
Coulombic:-27.218
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:230.283
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.47
LogP (Chemaxon):3.14

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