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Chemical ID: 5724033
Chemical ID:
5724033
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O)Cl
InChi [?]:
InChI=1/C19H15ClN2O3S/c1-12-8-9-14(20)10-15(12)21-18(23)11-22-16-6-2-4-13-5-3-7-17(19(13)16)26(22,24)25/h2-10H,11H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,21,16,22,14,20,3,4,6,11,2,17,5,7,13,19,9,18,26,8,12,10,24,25,23/E:(24,25)/CRV:26.6/rA:26cCCCCCCCNCOCNCCCCCCCCCCSOOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s12s19;d23;d23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.096 |
Area: | 555.745 |
Solvation: | -3.79762 |
Coulombic: | -28.4989 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 386.853 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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