Chemical ID: 7132265

c1cc(cnc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
Chemical ID:
7132265
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
c1cc(cnc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C16H9ClF3N3OS/c17-12-4-3-10(7-11(12)16(18,19)20)22-15-23-14(24)13(25-15)6-9-2-1-5-21-8-9/h1-8H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,6,7,19,4,3,14,18,17,8,9,12,20,24,21,22,23,5,13,11,10,25/E:(18,19,20)/rA:25nCCCCNCCCCONCNCCCCCCCFFFClS/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9ClF3N3OS
All Atoms:34
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.74203
Area:531.95
Solvation:-3.55673
Coulombic:-50.4686
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:383.776
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):4.44

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