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Chemical ID: 7743669
Chemical ID:
7743669
Name [?]:
None
SMILES [?]:
CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H17ClN2O4S2/c1-2-18-15(20)16(21)19-10-14(13-4-3-9-24-13)25(22,23)12-7-5-11(17)6-8-12/h3-9,14H,2,10H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,21,23,20,24,14,9,22,19,11,10,4,6,25,3,8,5,7,17,18,15,16/E:(5,6)(7,8)(22,23)/CRV:25.6/rA:25cCCNCOCONCCCCCCSSOOCCCCCCCl/rB:s1;s2;s3;d4;s4;d6;s6;s8;s9;s10;d11;s12;d13;s11s14;s10;d16;d16;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2O4S2 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0017 |
Area: | 590.37 |
Solvation: | -3.75751 |
Coulombic: | -51.784 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.65 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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