Chemical ID: 4692148

c1cc(ccc1F)Sc2c(nccn2)C#N
Chemical ID:
4692148
Name [?]:
3-(4-fluorophenyl)sulfanylpyrazine-2-carbonitrile
SMILES [?]:
c1cc(ccc1F)Sc2c(nccn2)C#N
InChi [?]:
InChI=1/C11H6FN3S/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,13,15,6,3,10,9,7,16,11,14,8/E:(1,2)(3,4)/rA:16nCCCCCCFSCCNCCNCN/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;d10;s11;d12;d9s13;s10;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6FN3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.25663
Area:394.3
Solvation:-2.60087
Coulombic:-19.4362
Bond Count [?]
All:17
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:231.25
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.26
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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