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Chemical ID: 4451702
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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