Chemical ID: 7139993

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3C(F)(F)F)S2
Chemical ID:
7139993
Name [?]:
5-benzylidene-2-[2-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3C(F)(F)F)S2
InChi [?]:
InChI=1/C17H11F3N2OS/c18-17(19,20)12-8-4-5-9-13(12)21-16-22-15(23)14(24-16)10-11-6-2-1-3-7-11/h1-10H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,16,3,5,18,15,7,4,19,14,8,9,12,20,21,22,23,13,11,10,24/E:(2,3)(6,7)(18,19,20)/rA:24nCCCCCCCCCONCNCCCCCCCFFFS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11F3N2OS
All Atoms:35
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.88794
Area:503.28
Solvation:-2.69406
Coulombic:-48.7982
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:348.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):5.23

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Descriptor Annotations

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