Chemical ID: 7140081

c1cc(c(cc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2)O)O
Chemical ID:
7140081
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(3,4-dihydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(c(cc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2)O)O
InChi [?]:
InChI=1/C16H10ClFN2O3S/c17-10-7-9(2-3-11(10)18)19-16-20-15(23)14(24-16)6-8-1-4-12(21)13(22)5-8/h1-7,21-22H,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,2,5,7,19,6,14,18,17,3,4,8,9,12,20,21,13,11,24,23,10,22/rA:24nCCCCCCCCCONCNCCCCCCClFSOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2O3S
All Atoms:34
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.38756
Area:532.789
Solvation:-4.93216
Coulombic:-63.6684
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:364.779
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.49
LogP (Chemaxon):4.44

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Descriptor Annotations

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