Chemical ID: 7140049

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3C(F)(F)F)Cl)S2)O
Chemical ID:
7140049
Name [?]:
2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3C(F)(F)F)Cl)S2)O
InChi [?]:
InChI=1/C17H10ClF3N2O2S/c18-10-3-6-13(12(8-10)17(19,20)21)22-16-23-15(25)14(26-16)7-9-1-4-11(24)5-2-9/h1-8,24H,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,15,7,18,6,17,3,19,14,8,9,12,20,24,21,22,23,13,11,26,10,25/E:(1,2)(4,5)(19,20,21)/rA:26nCCCCCCCCCONCNCCCCCCCFFFClSO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10ClF3N2O2S
All Atoms:36
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.082
Area:556.655
Solvation:-3.83435
Coulombic:-62.9706
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:398.787
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):5.47

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Descriptor Annotations

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