Chemical ID: 7141123

COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7141123
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C17H12ClFN2O3S/c1-24-14-6-9(2-5-13(14)22)7-15-16(23)21-17(25-15)20-10-3-4-12(19)11(18)8-10/h2-8,22H,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,18,19,7,4,10,22,5,17,21,20,8,3,11,12,15,23,24,16,14,9,13,2,25/rA:25nCOCCCCCCOCCCONCNCCCCCCClFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClFN2O3S
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.41936
Area:557.984
Solvation:-5.53024
Coulombic:-54.8203
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:378.806
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.38
LogP (Chemaxon):4.47

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