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Chemical ID: 7063144
Chemical ID:
7063144
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CC3NS(=O)(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H19FN2O2S/c1-21-10-9-12-3-2-4-15-16(11-17(21)18(12)15)20-24(22,23)14-7-5-13(19)6-8-14/h2-8,16-17,20H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,20,22,19,23,4,3,12,5,21,18,9,13,11,10,24,14,2,16,17,15/E:(5,6)(7,8)(22,23)/CRV:24.6/rA:24cCNCCCCCCCCCCCNSOOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s9s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19FN2O2S |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.96189 |
Area: | 499.938 |
Solvation: | -3.53657 |
Coulombic: | -21.2207 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 346.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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