Chemical ID: 7140941

Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)F)S2
Chemical ID:
7140941
Name [?]:
5-[(4-fluorophenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C17H13FN2OS/c1-11-4-2-3-5-14(11)19-17-20-16(21)15(22-17)10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,20,17,19,14,2,15,18,7,13,11,9,21,8,10,12,22/E:(6,7)(8,9)/rA:22nCCCCCCCNCNCOCCCCCCCCFS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2OS
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.55884
Area:490.42
Solvation:-2.70165
Coulombic:-33.741
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:312.362
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):4.96

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Descriptor Annotations

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