Chemical ID: 5290146

COc1ccc(cc1OC)C=Nn2cnc3c4cc(ccc4[nH]c3c2=O)F
Chemical ID:
5290146
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)C=Nn2cnc3c4cc(ccc4[nH]c3c2=O)F
InChi [?]:
InChI=1/C19H15FN4O3/c1-26-15-6-3-11(7-16(15)27-2)9-22-24-10-21-17-13-8-12(20)4-5-14(13)23-18(17)19(24)25/h3-10,23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,20,21,4,7,18,11,14,6,19,17,22,3,8,16,24,25,27,15,12,23,13,26,2,9/rA:27nCOCCCCCCOCCNNCNCCCCCCCNCCOF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s13s24;d25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN4O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.33604
Area:536.191
Solvation:-7.06875
Coulombic:-49.2869
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:366.346
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.37
LogP (Chemaxon):3.08

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