ChemDB: Chemical Search
Download
Chemical ID: 4554488
Chemical ID:
4554488
Name [?]:
None
SMILES [?]:
CCCN1CCn2c3ccc(cc3c4c2C1CCC4)Cl
InChi [?]:
InChI=1/C17H21ClN2/c1-2-8-19-9-10-20-15-7-6-12(18)11-14(15)13-4-3-5-16(19)17(13)20/h6-7,11,16H,2-5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,17,10,9,3,5,6,12,11,14,13,8,16,15,20,4,7/rA:20cCCCNCCNCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s4s15;s16;s17;s14s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21ClN2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1721 |
Area: | 463.895 |
Solvation: | -1.42531 |
Coulombic: | -12.5325 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 288.815 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.34 |
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 |
---|