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Chemical ID: 7712957
Chemical ID:
7712957
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)NS(=O)(=O)c2ccc(cc2C)C
InChi [?]:
InChI=1/C16H19NO2S/c1-11-5-7-15(13(3)9-11)17-20(18,19)16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,8,19,3,15,4,14,7,17,2,16,6,18,5,13,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2S |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.75134 |
Area: | 463.151 |
Solvation: | -1.82742 |
Coulombic: | -13.7179 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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