ChemDB: Chemical Search
Download
Chemical ID: 7389179
Chemical ID:
7389179
Name [?]:
None
SMILES [?]:
CCN1CCN(CC1)Cc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C20H22N2O2/c1-2-21-9-11-22(12-10-21)14-16-13-19(23)24-18-8-7-15-5-3-4-6-17(15)20(16)18/h3-8,13H,2,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,18,23,24,4,8,5,7,11,9,22,10,17,15,12,16,3,6,13,14/E:(9,10)(11,12)/rA:24nCCNCCNCCCCCCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;s12;s14;s10s15;d16;s17;d18;s19;d20;s17s21;d22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7092 |
Area: | 498.623 |
Solvation: | -2.75637 |
Coulombic: | -29.9643 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 322.401 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.78 |
LogP (Chemaxon): | 3.15 |
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 |
---|