Chemical ID: 4796140

CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F
Chemical ID:
4796140
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F
InChi [?]:
InChI=1/C22H20FNO5/c1-2-28-15-7-4-13(5-8-15)19-18-20(26)16-12-14(23)6-9-17(16)29-21(18)22(27)24(19)10-3-11-25/h4-9,12,19,25H,2-3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,6,8,17,5,9,18,25,27,15,7,16,4,14,19,11,10,12,21,22,29,24,28,13,23,3,20/E:(4,5)(7,8)/rA:29cCCOCCCCCCCCCOCCCCCCOCCONCCCOF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20FNO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.49238
Area:602.659
Solvation:-6.57409
Coulombic:-61.0636
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.396
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.57
LogP (Chemaxon):2.49

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