Chemical ID: 4736535

CC(=O)c1ccc(s1)C#N
Chemical ID:
4736535
Name [?]:
5-acetylthiophene-2-carbonitrile
SMILES [?]:
CC(=O)c1ccc(s1)C#N
InChi [?]:
InChI=1/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,9,2,7,4,10,3,8/rA:10nCCOCCCCSCN/rB:s1;d2;s2;d4;s5;d6;s4s7;s7;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NOS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.96286
Area:315.254
Solvation:-1.91849
Coulombic:-11.3172
Bond Count [?]
All:10
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.187
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.2
LogP (Chemaxon):0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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