Chemical ID: 7139997

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7139997
Name [?]:
5-benzylidene-2-(3-chloro-4-fluoro-phenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C16H10ClFN2OS/c17-12-9-11(6-7-13(12)18)19-16-20-15(21)14(22-16)8-10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,7,19,4,14,18,17,8,9,12,20,21,13,11,10,22/E:(2,3)(4,5)/rA:22nCCCCCCCCCONCNCCCCCCClFS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2OS
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.85615
Area:505.037
Solvation:-2.76977
Coulombic:-33.462
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:332.781
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.88
LogP (Chemaxon):5.01

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Descriptor Annotations

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