Chemical ID: 4279822

c1cc(sc1)C=CC(=O)c2ccncc2
Chemical ID:
4279822
Name [?]:
1-(4-pyridyl)-3-(2-thienyl)prop-2-en-1-one
SMILES [?]:
c1cc(sc1)C=CC(=O)c2ccncc2
InChi [?]:
InChI=1/C12H9NOS/c14-12(10-5-7-13-8-6-10)4-3-11-2-1-9-15-11/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,7,11,15,12,14,5,10,3,8,13,9,4/E:(5,6)(7,8)/rA:15nCCCSCCCCOCCCNCC/rB:s1;d2;s3;d1s4;s3;w6;s7;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NOS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.70158
Area:382.21
Solvation:-2.85366
Coulombic:-13.2953
Bond Count [?]
All:16
Single:9
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:215.272
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.62
LogP (Chemaxon):2.12

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Descriptor Annotations

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