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Chemical ID: 6317853
Chemical ID:
6317853
Name [?]:
5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1COc2ccc(cc2C=C3C(=O)NC(=S)S3)Cl)F
InChi [?]:
InChI=1/C17H11ClFNO2S2/c18-12-3-6-14(22-9-10-1-4-13(19)5-2-10)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,11,2,4,10,13,15,7,6,14,12,3,9,16,17,20,23,24,19,18,8,21,22/E:(1,2)(4,5)/rA:24nCCCCCCCOCCCCCCCCCONCSSClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;d17;s17;s19;d20;s16s20;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClFNO2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5731 |
Area: | 567.673 |
Solvation: | -3.61876 |
Coulombic: | -35.9501 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.858 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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