Chemical ID: 5735305

COc1cc(ccc1O)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
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

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