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Chemical ID: 7658359
Chemical ID:
7658359
Name [?]:
None
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)N2CCN(CC2)Cc3ccccc3F
InChi [?]:
InChI=1/C15H19FN4O2S/c1-18-12-14(10-17-18)23(21,22)20-8-6-19(7-9-20)11-13-4-2-3-5-15(13)16/h2-5,10,12H,6-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,21,12,14,11,15,5,16,3,17,4,22,23,6,2,13,10,8,9,7/E:(6,7)(8,9)(21,22)/CRV:23.6/rA:23nCNCCCNSOONCCNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19FN4O2S |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.75422 |
Area: | 517.727 |
Solvation: | -4.18896 |
Coulombic: | -19.9996 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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