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Chemical ID: 6206313
Chemical ID:
6206313
Name [?]:
None
SMILES [?]:
CCOCCCn1c(=O)c2c(c3ccccc3s2)[nH]c1=S
InChi [?]:
InChI=1/C15H16N2O2S2/c1-2-19-9-5-8-17-14(18)13-12(16-15(17)20)10-6-3-4-7-11(10)21-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,5,13,16,6,4,12,17,11,10,8,20,19,7,9,3,21,18/rA:21nCCOCCCNCOCCCCCCCCSNCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s7s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81546 |
Area: | 514.87 |
Solvation: | -3.05629 |
Coulombic: | -38.5294 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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