Chemical ID: 3968208

CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N
Chemical ID:
3968208
Name [?]:
7-(1-naphthyl)-9-tert-butyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
SMILES [?]:
CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N
InChi [?]:
InChI=1/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,17,12,19,13,16,11,22,14,15,10,7,8,20,6,2,24,21,23,9,5/E:(1,2,3)/rA:24nCCCCNCCCNCCCCCCCCCCCNCNN/rB:s1;s2;s2;s2;s5;s6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;d7;s20;d21;d6s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5563
Area:496.244
Solvation:-1.84983
Coulombic:-35.4228
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:317.388
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.72
LogP (Chemaxon):3.85

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