Chemical ID: 7132262

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
Chemical ID:
7132262
Name [?]:
5-benzylidene-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C17H10ClF3N2OS/c18-13-7-6-11(9-12(13)17(19,20)21)22-16-23-15(24)14(25-16)8-10-4-2-1-3-5-10/h1-9H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,7,19,4,14,18,17,8,9,12,20,24,21,22,23,13,11,10,25/E:(2,3)(4,5)(19,20,21)/rA:25nCCCCCCCCCONCNCCCCCCCFFFClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10ClF3N2OS
All Atoms:35
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5617
Area:534.78
Solvation:-2.80779
Coulombic:-47.8526
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:382.788
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):5.75

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