ChemDB: Chemical Search
Download
Chemical ID: 4709536
Chemical ID:
4709536
Name [?]:
7-phenyl-6,8,9-triazabicyclo[4.3.0]nona-7,9-diene
SMILES [?]:
c1ccc(cc1)c2nnc3n2CCCC3
InChi [?]:
InChI=1/C12H13N3/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12/h1-3,6-7H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,3,5,15,12,4,10,7,9,8,11/E:(2,3)(6,7)/rA:15nCCCCCCCNNCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52698 |
Area: | 360.879 |
Solvation: | -1.49499 |
Coulombic: | -12.3229 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 199.252 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.88 |
LogP (Chemaxon): | 1.79 |
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 |
---|