Chemical ID: 4797834

c1cc(ccc1C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F)F
Chemical ID:
4797834
Name [?]:
None
SMILES [?]:
c1cc(ccc1C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F)F
InChi [?]:
InChI=1/C20H15F2NO4/c21-12-4-2-11(3-5-12)17-16-18(25)14-10-13(22)6-7-15(14)27-19(16)20(26)23(17)8-1-9-24/h2-7,10,17,24H,1,8-9H2
InChi Info:
AuxInfo=1/0/N:23,1,5,2,4,14,15,22,24,12,6,3,13,11,16,8,7,9,18,19,27,26,21,25,10,20,17/E:(2,3)(4,5)/rA:27cCCCCCCCCCOCCCCCCOCCONCCCOFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s24;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F2NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.43352
Area:545.78
Solvation:-6.21097
Coulombic:-57.4809
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:371.334
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.39
LogP (Chemaxon):2.54

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