ChemDB: Chemical Search
Download
Chemical ID: 3967868
Chemical ID:
3967868
Name [?]:
None
SMILES [?]:
CNCCC=C1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,19,9,18,4,11,20,8,17,5,13,14,3,12,15,7,16,6,2/E:(2,3)(4,5)(7,8)(9,10)(12,13)(15,16)(17,18)/rA:20nCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s6s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2384 |
Area: | 465.01 |
Solvation: | -1.38683 |
Coulombic: | -12.78 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.53 |
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 |
---|