Chemical ID: 7678635

c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)F)nn2
Chemical ID:
7678635
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C18H12ClFN6O2/c19-11-2-1-3-14(8-11)26-17-16(23-24-26)18(28)25(10-21-17)9-15(27)22-13-6-4-12(20)5-7-13/h1-8,10H,9H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,6,2,22,24,21,25,4,16,14,5,23,20,3,17,10,9,11,7,26,15,19,27,28,13,8,18,12/E:(4,5)(6,7)/rA:28nCCCCCCClNCCCONCNCCONCCCCCCFNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s10;s8d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClFN6O2
All Atoms:40
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.0178
Area:589.44
Solvation:-4.71821
Coulombic:-51.7867
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.99
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