Chemical ID: 7459542

c1ccc(c(c1)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2)F
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

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Descriptor Annotations

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