Chemical ID: 6201038

c1ccc(c(c1)N=C2NC(=O)C(=C3c4cc(ccc4NC3=O)F)S2)Cl
Chemical ID:
6201038
Name [?]:
3-[2-(2-chlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]-5-fluoro-indolin-2-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=C3c4cc(ccc4NC3=O)F)S2)Cl
InChi [?]:
InChI=1/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7H,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,17,18,15,16,14,4,19,5,13,12,21,10,8,25,23,20,7,9,22,11,24/rA:25nCCCCCCNCNCOCCCCCCCCNCOFSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s16;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9ClFN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.81115
Area:534.327
Solvation:-3.54703
Coulombic:-52.5809
Bond Count [?]
All:28
Single:18
Double:10
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:373.789
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):3.89

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