Chemical ID: 5749890

COc1cc(ccc1O)C=C2C(=NC(=Nc3ccccc3Cl)S2)O
Chemical ID:
5749890
Name [?]:
2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1cc(ccc1O)C=C2C(=NC(=Nc3ccccc3Cl)S2)O
InChi [?]:
InChI=1/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,6,7,4,10,5,21,16,8,3,11,12,14,22,15,13,9,24,2,23/rA:24nCOCCCCCCOCCCNCNCCCCCCClSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s11s14;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.39821
Area:547.907
Solvation:-4.29947
Coulombic:-54.9152
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:360.815
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.53
LogP (Chemaxon):5.02

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