Chemical ID: 7121829

c1cc(ccc1F)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3
Chemical ID:
7121829
Name [?]:
1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]-1-azoniacycloheptane
SMILES [?]:
c1cc(ccc1F)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3
InChi [?]:
InChI=1/C17H25FN2O2S/c18-15-5-7-17(8-6-15)23(21,22)20-13-9-16(10-14-20)19-11-3-1-2-4-12-19/h5-8,16H,1-4,9-14H2/p+1
InChi Info:
AuxInfo=1/1/N:20,21,19,22,1,5,2,4,13,15,18,23,12,16,6,14,3,7,17,11,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(21,22)/CRV:23.6/rA:23nCCCCCCFSOONCCCCCN+CCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26FN2O2S+
All Atoms:49
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-19.3269
Area:509.146
Solvation:-32.0556
Coulombic:18.8165
Bond Count [?]
All:25
Single:20
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.465
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.89
LogP (Chemaxon):2.41

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Descriptor Annotations

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