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Chemical ID: 7708664
Chemical ID:
7708664
Name [?]:
None
SMILES [?]:
c1cc2c(cc1S(=O)(=O)NC3CCCC3)CCC(=O)N2
InChi [?]:
InChI=1/C14H18N2O3S/c17-14-8-5-10-9-12(6-7-13(10)15-14)20(18,19)16-11-3-1-2-4-11/h6-7,9,11,16H,1-5,8H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:13,14,12,15,16,1,2,17,5,4,11,6,3,18,20,10,19,8,9,7/E:(1,2)(3,4)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s11s14;s4;s16;s17;d18;s3s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3S |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.74024 |
Area: | 467.263 |
Solvation: | -2.94134 |
Coulombic: | -31.3203 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.06 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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