Chemical ID: 7243631

c1cc2c(cc1S(=O)(=O)N3CCNCC3)CCCC2
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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