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Chemical ID: 7209979
Chemical ID:
7209979
Name [?]:
5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)Cl)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
InChi [?]:
InChI=1/C17H12Cl2N2O3S/c1-24-13-7-9(6-11(19)15(13)22)8-14-16(23)21-17(25-14)20-12-5-3-2-4-10(12)18/h2-8,22H,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,6,4,11,5,23,7,18,3,12,8,13,16,24,10,17,15,9,14,2,25/rA:25nCOCCCCCCOClCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2N2O3S |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6162 |
Area: | 571.455 |
Solvation: | -4.67019 |
Coulombic: | -52.7131 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 395.26 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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