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Chemical ID: 4189015
Chemical ID:
4189015
Name [?]:
1-(m-tolyl)-4-phenylsulfonyl-piperazine
SMILES [?]:
Cc1cccc(c1)N2CCN(CC2)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C17H20N2O2S/c1-15-6-5-7-16(14-15)18-10-12-19(13-11-18)22(20,21)17-8-3-2-4-9-17/h2-9,14H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,3,5,18,22,9,13,10,12,7,2,6,17,8,11,15,16,14/E:(3,4)(8,9)(10,11)(12,13)(20,21)/CRV:22.6/rA:22nCCCCCCCNCCNCCSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s11;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80369 |
Area: | 496.886 |
Solvation: | -2.61846 |
Coulombic: | -15.7187 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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