ChemDB: Chemical Search
Download
Chemical ID: 4647765
Chemical ID:
4647765
Name [?]:
5-(4-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3)F)O
InChi [?]:
InChI=1/C18H14FNO3/c1-10-2-4-12(5-3-10)16(21)14-15(20-18(23)17(14)22)11-6-8-13(19)9-7-11/h2-9,15,22H,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,21,18,20,2,16,5,19,10,15,8,11,12,22,14,9,23,13/E:(2,3)(4,5)(6,7)(8,9)/rA:23cCCCCCCCCOCCCONCCCCCCCFO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.78426 |
Area: | 493.927 |
Solvation: | -4.56392 |
Coulombic: | -51.7 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.65 |
LogP (Chemaxon): | 2.58 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|