Chemical ID: 7676862

CCOC(=O)c1cnc2cc(c(cc2c1N3CCOCC3)F)F
Chemical ID:
7676862
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cnc2cc(c(cc2c1N3CCOCC3)F)F
InChi [?]:
InChI=1/C16H16F2N2O3/c1-2-23-16(21)11-9-19-14-8-13(18)12(17)7-10(14)15(11)20-3-5-22-6-4-20/h7-9H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,21,18,20,13,10,7,14,6,12,11,9,15,4,22,23,8,16,5,19,3/E:(3,4)(5,6)/rA:23nCCOCOCCNCCCCCCCNCCOCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s16s20;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F2N2O3
All Atoms:39
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:6.51166
Area:475.629
Solvation:-5.37906
Coulombic:-44.6672
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.61
LogP (Chemaxon):None

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