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Chemical ID: 7727344
Chemical ID:
7727344
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3cc(ccc3OC)Cl)CCS2
InChi [?]:
InChI=1/C16H16ClN3O3S2/c1-20-15(22)14-10(5-6-24-14)19-16(20)25-8-13(21)18-11-7-9(17)3-4-12(11)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,17,18,23,24,15,10,16,6,14,19,11,5,3,8,22,13,7,2,12,4,20,25,9/rA:25nCNCOCCNCSCCONCCCCCCOCClCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;s6;s23;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClN3O3S2 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4528 |
Area: | 590.508 |
Solvation: | -4.30994 |
Coulombic: | -50.4661 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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