Chemical ID: 6149902

c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCCCCC2
Chemical ID:
6149902
Name [?]:
1-[2-(trifluoromethyl)phenyl]sulfonylazepane
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCCCCC2
InChi [?]:
InChI=1/C13H16F3NO2S/c14-13(15,16)11-7-3-4-8-12(11)20(18,19)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:17,18,1,2,16,19,6,3,15,20,5,4,7,8,9,10,14,12,13,11/E:(1,2)(5,6)(9,10)(14,15,16)(18,19)/CRV:20.6/rA:20nCCCCCCCFFFSOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;d11;d11;s11;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16F3NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.37815
Area:415.643
Solvation:-3.01293
Coulombic:-25.5414
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.26
LogP (Chemaxon):3.17

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