Chemical ID: 7667441

c1cc(c2c(c1)sc(n2)Nc3ccc(cc3)F)F
Chemical ID:
7667441
Name [?]:
None
SMILES [?]:
c1cc(c2c(c1)sc(n2)Nc3ccc(cc3)F)F
InChi [?]:
InChI=1/C13H8F2N2S/c14-8-4-6-9(7-5-8)16-13-17-12-10(15)2-1-3-11(12)18-13/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,15,12,16,14,11,3,5,4,8,17,18,10,9,7/E:(4,5)(6,7)/rA:18nCCCCCCSCNNCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8F2N2S
All Atoms:26
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.36816
Area:410.111
Solvation:-2.88462
Coulombic:-26.4907
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.46
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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