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Chemical ID: 7140049
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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