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Chemical ID: 7063113
Chemical ID:
7063113
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)N2CCc3cccc4c3C2CC4)Cl
InChi [?]:
InChI=1/C17H16ClNO2S/c18-14-6-1-2-7-16(14)22(20,21)19-11-10-13-5-3-4-12-8-9-15(19)17(12)13/h1-7,15H,8-11H2
InChi Info:
AuxInfo=1/0/N:2,1,15,16,14,3,6,21,20,12,11,17,13,4,19,5,18,22,10,8,9,7/E:(20,21)/CRV:22.6/rA:22cCCCCCCSOONCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;s17s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO2S |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.30863 |
Area: | 458.972 |
Solvation: | -2.16566 |
Coulombic: | -9.66728 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 333.833 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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