Chemical ID: 4810545

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCCO
Chemical ID:
4810545
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCCO
InChi [?]:
InChI=1/C20H16FNO4/c21-14-8-3-1-6-12(14)17-16-18(24)13-7-2-4-9-15(13)26-19(16)20(25)22(17)10-5-11-23/h1-4,6-9,17,23H,5,10-11H2
InChi Info:
AuxInfo=1/0/N:18,1,19,2,24,17,6,20,3,23,25,16,5,21,4,9,15,7,10,12,22,14,26,8,13,11/rA:26cCCCCCCCOCCOCONCCCCCCCFCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s21;s14;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16FNO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:7.97509
Area:532.243
Solvation:-5.33099
Coulombic:-55.2773
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.344
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.23
LogP (Chemaxon):2.4

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