Chemical ID: 4781703

Cc1ncc2c(n1)-c3cc(ccc3SC2)F
Chemical ID:
4781703
Name [?]:
None
SMILES [?]:
Cc1ncc2c(n1)-c3cc(ccc3SC2)F
InChi [?]:
InChI=1/C12H9FN2S/c1-7-14-5-8-6-16-11-3-2-9(13)4-10(11)12(8)15-7/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,9,4,15,2,5,10,8,13,6,16,3,7,14/rA:16nCCNCCCNCCCCCCSCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s5s14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9FN2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.03412
Area:372.855
Solvation:-2.28727
Coulombic:-14.2095
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:232.278
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.4
LogP (Chemaxon):3.34

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