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Chemical ID: 5667862
Chemical ID:
5667862
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(c(c1)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCO)F
InChi [?]:
InChI=1/C19H15ClFNO4/c20-12-7-5-11(6-8-12)17(24)15-16(13-3-1-2-4-14(13)21)22(9-10-23)19(26)18(15)25/h1-8,16,23-24H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,15,12,14,23,24,10,13,5,4,8,7,9,18,20,16,26,22,25,17,19,21/E:(5,6)(7,8)/rA:26cCCCCCCCCCCCCCCCClOCOCONCCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s9;s8;d18;s18;d20;s7s20;s22;s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClFNO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.15514 |
Area: | 523.354 |
Solvation: | -4.92871 |
Coulombic: | -65.3617 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.778 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.63 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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