Chemical ID: 6614999

CCCCSc1c(c(cc(n1)c2ccc(cc2)Cl)C(F)(F)F)C#N
Chemical ID:
6614999
Name [?]:
2-butylsulfanyl-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILES [?]:
CCCCSc1c(c(cc(n1)c2ccc(cc2)Cl)C(F)(F)F)C#N
InChi [?]:
InChI=1/C17H14ClF3N2S/c1-2-3-8-24-16-13(10-22)14(17(19,20)21)9-15(23-16)11-4-6-12(18)7-5-11/h4-7,9H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,17,14,16,4,9,23,12,15,7,8,10,6,19,18,20,21,22,24,11,5/E:(4,5)(6,7)(19,20,21)/rA:24nCCCCSCCCCCNCCCCCCClCFFFCN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;d15;d12s16;s15;s8;s19;s19;s19;s7;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClF3N2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5024
Area:562.467
Solvation:-2.55929
Coulombic:-28.7459
Bond Count [?]
All:25
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.82
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.18
LogP (Chemaxon):6.49

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