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Chemical ID: 6165034
Chemical ID:
6165034
Name [?]:
3-(4-chlorophenyl)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C23H15ClFNO3S/c24-17-7-11-19(12-8-17)26-22(27)21(30-23(26)28)13-16-3-1-2-4-20(16)29-14-15-5-9-18(25)10-6-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,25,29,17,19,26,28,16,20,7,23,24,5,18,27,15,4,8,9,12,21,30,11,10,13,22,14/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCCONCOSCCCCCCClOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s18;s4;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15ClFNO3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6642 |
Area: | 644.668 |
Solvation: | -4.45254 |
Coulombic: | -41.9636 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 439.887 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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