Chemical ID: 6836754

Cc1ccc(cc1)C(=C2C(NC(=O)C2=O)c3cccc(c3)F)O
Chemical ID:
6836754
Name [?]:
5-(3-fluorophenyl)-4-[hydroxy-(p-tolyl)methylene]-pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(NC(=O)C2=O)c3cccc(c3)F)O
InChi [?]:
InChI=1/C18H14FNO3/c1-10-5-7-11(8-6-10)16(21)14-15(20-18(23)17(14)22)12-3-2-4-13(19)9-12/h2-9,15,21H,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,7,4,6,21,2,5,16,20,9,10,8,14,12,22,11,23,15,13/E:(5,6)(7,8)/rA:23cCCCCCCCCCCNCOCOCCCCCCFO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s10;s16;d17;s18;d19;d16s20;s20;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FNO3
All Atoms:37
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.19045
Area:461.53
Solvation:-4.34778
Coulombic:-52.5528
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.307
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):2.13

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Descriptor Annotations

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