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Chemical ID: 5735305
Chemical ID:
5735305
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1cc(ccc1O)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
InChi [?]:
InChI=1/C17H12Cl2N2O3S/c1-24-14-4-9(2-3-13(14)22)5-15-16(23)21-17(25-15)20-12-7-10(18)6-11(19)8-12/h2-8,22H,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,7,4,10,19,17,21,5,18,20,16,8,3,11,12,14,23,22,15,13,9,25,2,24/E:(7,8)(10,11)(18,19)/rA:25nCOCCCCCCOCCCNCNCCCCCCClClSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s18;s11s14;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.449 |
Area: | 588.529 |
Solvation: | -4.26421 |
Coulombic: | -54.1825 |
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: | 4.15 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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