ChemDB: Chemical Search
Download
Chemical ID: 4685967
Chemical ID:
4685967
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2CC3Cc4ccccc4CN3C2
InChi [?]:
InChI=1/C18H20N2/c1-14-6-8-17(9-7-14)20-12-18-10-15-4-2-3-5-16(15)11-19(18)13-20/h2-9,18H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,11,18,9,20,2,12,17,5,10,19,8/E:(6,7)(8,9)/rA:20cCCCCCCCNCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;s8s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.92347 |
Area: | 448.68 |
Solvation: | -2.29353 |
Coulombic: | -12.9357 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 264.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.78 |
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 |
---|