Chemical ID: 6214930

CCCSc1c(c(cc(n1)c2ccc(cc2)C)C(F)(F)F)C#N
Chemical ID:
6214930
Name [?]:
2-propylsulfanyl-6-(p-tolyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILES [?]:
CCCSc1c(c(cc(n1)c2ccc(cc2)C)C(F)(F)F)C#N
InChi [?]:
InChI=1/C17H15F3N2S/c1-3-8-23-16-13(10-21)14(17(18,19)20)9-15(22-16)12-6-4-11(2)5-7-12/h4-7,9H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,13,15,12,16,3,8,22,14,11,6,7,9,5,18,19,20,21,23,10,4/E:(4,5)(6,7)(18,19,20)/rA:23nCCCSCCCCCNCCCCCCCCFFFCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;d11s15;s14;s7;s18;s18;s18;s6;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15F3N2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5364
Area:520.933
Solvation:-2.48695
Coulombic:-28.2419
Bond Count [?]
All:24
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.376
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.43
LogP (Chemaxon):6.04

Name Annotations

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Descriptor Annotations

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