Chemical ID: 4451702

c1cc(c(c(c1)F)S(=O)(=O)N2CCCCCC2)F
Chemical ID:
4451702
Name [?]:
1-(2,6-difluorophenyl)sulfonylazepane
SMILES [?]:
c1cc(c(c(c1)F)S(=O)(=O)N2CCCCCC2)F
InChi [?]:
InChI=1/C12H15F2NO2S/c13-10-6-5-7-11(14)12(10)18(16,17)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2
InChi Info:
AuxInfo=1/0/N:14,15,13,16,1,2,6,12,17,3,5,4,18,7,11,9,10,8/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:18.6/rA:18nCCCCCCFSOONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;s14;s15;s11s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15F2NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.03892
Area:395.213
Solvation:-3.84141
Coulombic:-13.6937
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.65
LogP (Chemaxon):2.57

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