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Chemical ID: 7743631
Chemical ID:
7743631
Name [?]:
None
SMILES [?]:
C=CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H17ClN2O4S2/c1-2-9-19-16(21)17(22)20-11-15(14-4-3-10-25-14)26(23,24)13-7-5-12(18)6-8-13/h2-8,10,15H,1,9,11H2,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,22,24,21,25,3,15,10,23,20,12,11,5,7,26,4,9,6,8,18,19,16,17/E:(5,6)(7,8)(23,24)/CRV:26.6/rA:26cCCCNCOCONCCCCCCSSOOCCCCCCCl/rB:d1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;s12s15;s11;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O4S2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5194 |
Area: | 612.014 |
Solvation: | -3.78098 |
Coulombic: | -53.3157 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.84 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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