Chemical ID: 6190684

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)F
Chemical ID:
6190684
Name [?]:
5-[(2-fluorophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)F
InChi [?]:
InChI=1/C16H11FN2O2S/c17-13-4-2-1-3-10(13)9-14-15(21)19-16(22-14)18-11-5-7-12(20)8-6-11/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,19,16,18,7,5,14,17,4,8,9,12,22,13,11,20,10,21/E:(5,6)(7,8)/rA:22nCCCCCCCCCONCNCCCCCCOSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11FN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.76577
Area:489.956
Solvation:-3.48314
Coulombic:-48.8398
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:314.335
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.85
LogP (Chemaxon):4.21

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Descriptor Annotations

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