ChemDB: Chemical Search
Download
Chemical ID: 5786428
Chemical ID:
5786428
Name [?]:
6-acetyl-2-propyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
CCCN1c2ccccc2N(CCC1=O)C(=O)C
InChi [?]:
InChI=1/C14H18N2O2/c1-3-9-16-13-7-5-4-6-12(13)15(11(2)17)10-8-14(16)18/h4-7H,3,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,8,7,9,6,13,3,12,16,10,5,14,11,4,17,15/rA:18nCCCNCCCCCCNCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s4s13;d14;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56034 |
Area: | 419.163 |
Solvation: | -2.91873 |
Coulombic: | -30.4866 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 246.305 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.22 |
LogP (Chemaxon): | 0.94 |
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 |
---|