Chemical ID: 7221367

CCOc1cc(ccc1OC(F)F)c2nc3c4ccccc4ncn3n2
Chemical ID:
7221367
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(F)F)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C18H14F2N4O2/c1-2-25-15-9-11(7-8-14(15)26-18(19)20)16-22-17-12-5-3-4-6-13(12)21-10-24(17)23-16/h3-10,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,18,21,7,8,5,24,6,17,22,9,4,14,16,11,12,13,23,15,26,25,3,10/E:(19,20)/rA:26nCCOCCCCCCOCFFCNCCCCCCCNCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s11;s6;s14;d15;s16;s17;d18;s19;d20;d17s21;s22;d23;s16s24;d14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14F2N4O2
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.70864
Area:535.482
Solvation:-4.67842
Coulombic:-45.6053
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.326
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.93
LogP (Chemaxon):4.24

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