Chemical ID: 7024832

c1cc(cc(c1)O)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
Chemical ID:
7024832
Name [?]:
4-(4-fluorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-hydroxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)O)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H16FNO5/c23-15-8-6-13(7-9-15)20(26)18-19(14-3-1-4-16(25)11-14)24(22(28)21(18)27)12-17-5-2-10-29-17/h1-11,19,25,27H,12H2
InChi Info:
AuxInfo=1/0/N:1,17,2,6,16,24,28,25,27,18,4,14,23,3,26,5,15,9,8,21,10,11,29,13,7,22,20,12,19/E:(6,7)(8,9)/rA:29cCCCCCCOCCCCONCCCCCOOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s8s11;s13;s14;d15;s16;d17;s15s18;s10;s9;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FNO5
All Atoms:45
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.51602
Area:587.207
Solvation:-7.16414
Coulombic:-68.5726
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.365
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.36
LogP (Chemaxon):2.8

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue