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Chemical ID: 7082213
Chemical ID:
7082213
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5cccc(c5)Cl
InChi [?]:
InChI=1/C22H15ClN2O3S/c1-11-8-15-16(9-12(11)2)28-20-17(19(15)26)18(13-4-3-5-14(23)10-13)25(21(20)27)22-24-6-7-29-22/h3-10,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,25,24,26,20,21,3,6,28,2,7,23,27,4,5,11,14,12,10,16,18,29,19,15,13,17,9,22/rA:29cCCCCCCCCOCCCOCNCOCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s14;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClN2O3S |
All Atoms: | 44 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5229 |
Area: | 600.174 |
Solvation: | -3.48147 |
Coulombic: | -40.8175 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 422.885 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.05 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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