Chemical ID: 7677779

c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccc(cc4)F)nn2
Chemical ID:
7677779
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C19H15FN6O2/c20-14-8-6-13(7-9-14)10-21-16(27)11-25-12-22-18-17(19(25)28)23-24-26(18)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,25,22,24,19,15,13,20,23,4,16,9,8,10,26,18,14,27,28,12,7,17,11/E:(2,3)(4,5)(6,7)(8,9)/rA:28nCCCCCCNCCCONCNCCONCCCCCCCFNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s9;s7d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN6O2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.9913
Area:588.705
Solvation:-4.72633
Coulombic:-53.3318
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.51
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