ChemDB: Chemical Search
Download
Chemical ID: 5787863
Chemical ID:
5787863
Name [?]:
7-ethyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-2-amine
SMILES [?]:
CCc1c(nc2n1cccc2N)c3ccccc3
InChi [?]:
InChI=1/C15H15N3/c1-2-13-14(11-7-4-3-5-8-11)17-15-12(16)9-6-10-18(13)15/h3-10H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,9,14,18,10,8,13,11,3,4,6,12,5,7/E:(4,5)(7,8)/rA:18nCCCCNCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s7;d8;s9;s6d10;s11;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82039 |
Area: | 420.542 |
Solvation: | -1.69315 |
Coulombic: | -30.4037 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.12 |
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 |
---|