Chemical ID: 4491991

Cc1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(cc5)F
Chemical ID:
4491991
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(cc5)F
InChi [?]:
InChI=1/C25H17F2NO3/c1-14-2-4-15(5-3-14)13-28-22(16-6-8-17(26)9-7-16)21-23(29)19-12-18(27)10-11-20(19)31-24(21)25(28)30/h2-12,22H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,26,30,27,29,17,18,15,8,2,5,25,28,16,14,19,11,10,12,21,22,31,24,9,13,23,20/E:(2,3)(4,5)(6,7)(8,9)/rA:31cCCCCCCCCNCCCOCCCCCCOCCOFCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s16;s10;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H17F2NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.92424
Area:556.064
Solvation:-4.97736
Coulombic:-43.016
Bond Count [?]
All:35
Single:23
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:417.404
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):5.18

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