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Chemical ID: 7459542
Chemical ID:
7459542
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(c(c1)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2)F
InChi [?]:
InChI=1/C17H11ClFNO3/c18-10-7-5-9(6-8-10)15(21)13-14(20-17(23)16(13)22)11-3-1-2-4-12(11)19/h1-8,14,21H,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,15,12,14,10,13,5,4,8,7,9,18,20,16,23,22,17,19,21/E:(5,6)(7,8)/rA:23cCCCCCCCCCCCCCCCClOCOCONF/rB:s1;d2;s3;d4;d1s5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s9;s8;d18;s18;d20;s7s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClFNO3 |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.02341 |
Area: | 480.109 |
Solvation: | -3.97932 |
Coulombic: | -53.1644 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.725 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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