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Chemical ID: 7141057
Chemical ID:
7141057
Name [?]:
5-[(3-bromophenyl)methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Br)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C16H10BrFN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20-16(22-14)19-13-6-4-12(18)5-7-13/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,8,3,5,18,15,9,10,13,7,21,14,12,11,22/E:(4,5)(6,7)/rA:22nCCCCCCBrCCCONCNCCCCCCFS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10BrFN2OS |
All Atoms: | 32 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64739 |
Area: | 494.119 |
Solvation: | -2.70557 |
Coulombic: | -33.2821 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 377.232 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.05 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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