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Chemical ID: 6193021
Chemical ID:
6193021
Name [?]:
None
SMILES [?]:
Cn1c2ccc3ccccc3c2sc1=NC(=O)c4cc(=O)c5ccccc5o4
InChi [?]:
InChI=1/C22H14N2O3S/c1-24-16-11-10-13-6-2-3-7-14(13)20(16)28-22(24)23-21(26)19-12-17(25)15-8-4-5-9-18(15)27-19/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,24,25,7,10,23,26,5,4,19,6,11,22,3,20,27,18,12,16,14,15,2,21,17,28,13/rA:28nCNCCCCCCCCCCSCNCOCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;s2s13;w14;s15;d16;s16;d18;s19;d20;s20;s22;d23;s24;d25;d22s26;s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3083 |
Area: | 569.272 |
Solvation: | -2.9235 |
Coulombic: | -42.828 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 386.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.78 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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