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Chemical ID: 7681026
Chemical ID:
7681026
Name [?]:
None
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O3S/c1-10(21)20-7-6-11-8-13(3-5-16(11)20)24(22,23)19-15-9-12(17)2-4-14(15)18/h2-5,8-9,19H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,10,21,9,6,5,12,18,2,7,19,11,22,17,8,24,23,16,4,3,14,15,13/E:(22,23)/CRV:24.6/rA:24nCCONCCCCCCCCSOONCCCCCCClCl/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O3S |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3941 |
Area: | 539.334 |
Solvation: | -3.08926 |
Coulombic: | -27.2569 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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