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Chemical ID: 7243631
Chemical ID:
7243631
Name [?]:
1-tetralin-2-ylsulfonylpiperazine
SMILES [?]:
c1cc2c(cc1S(=O)(=O)N3CCNCC3)CCCC2
InChi [?]:
InChI=1/C14H20N2O2S/c17-19(18,16-9-7-15-8-10-16)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,11,15H,1-4,7-10H2
InChi Info:
AuxInfo=1/0/N:18,17,19,16,2,1,12,14,11,15,5,3,4,6,13,10,8,9,7/E:(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s4;s16;s17;s3s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.17776 |
Area: | 445.079 |
Solvation: | -1.94922 |
Coulombic: | -16.771 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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