Chemical ID: 7678904

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccccc4F)nn2
Chemical ID:
7678904
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccccc4F)nn2
InChi [?]:
InChI=1/C19H15FN6O3/c1-29-13-6-4-5-12(9-13)26-18-17(23-24-26)19(28)25(11-21-18)10-16(27)22-15-8-3-2-7-14(15)20/h2-9,11H,10H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,24,23,5,6,4,25,22,8,17,15,7,3,26,21,18,11,10,12,27,16,20,28,29,14,9,19,13,2/rA:29nCOCCCCCCNCCCONCNCCONCCCCCCFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s11;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN6O3
All Atoms:44
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:9.09813
Area:592.425
Solvation:-5.71249
Coulombic:-59.2218
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.28
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