ChemDB: Chemical Search
Download
Chemical ID: 6836011
Chemical ID:
6836011
Name [?]:
4-methyl-8-tetralin-2-yl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2cc(nc2c1)c3ccc4c(c3)CCCC4
InChi [?]:
InChI=1/C18H18N2/c1-13-8-9-20-12-17(19-18(20)10-13)16-7-6-14-4-2-3-5-15(14)11-16/h6-12H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,13,12,3,4,10,16,6,2,14,15,11,7,9,8,5/rA:20nCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;d2s9;s7;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2 |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65669 |
Area: | 451.57 |
Solvation: | -1.63257 |
Coulombic: | -12.7408 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 262.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.11 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|