Chemical ID: 4989162

Cc1cc2c(cc1C)N(c3c(c(nc(n3)N)O)C2(C)C)C
Chemical ID:
4989162
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)N(c3c(c(nc(n3)N)O)C2(C)C)C
InChi [?]:
InChI=1/C16H20N4O/c1-8-6-10-11(7-9(8)2)20(5)13-12(16(10,3)4)14(21)19-15(17)18-13/h6-7H,1-5H3,(H3,17,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,8,19,20,21,3,6,2,7,4,5,11,10,12,14,18,16,15,13,9,17/E:(3,4)/rA:21nCCCCCCCCNCCCNCNNOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;d10s14;s14;s12;s4s11;s18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N4O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.12717
Area:449.343
Solvation:-2.1064
Coulombic:-51.8732
Bond Count [?]
All:23
Single:17
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:284.356
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):4.44

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