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Chemical ID: 4943918
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
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Experimental Annotations
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Descriptor Annotations
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