ChemDB: Chemical Search
Download
Chemical ID: 7105821
Chemical ID:
7105821
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cycloheptanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCCCC2)Cl
InChi [?]:
InChI=1/C14H19Cl2N/c15-13-8-5-9-14(16)12(13)10-17-11-6-3-1-2-4-7-11/h5,8-9,11,17H,1-4,6-7,10H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,11,16,2,6,8,10,4,3,5,17,7,9/E:(1,2)(3,4)(6,7)(8,9)(13,14)(15,16)/rA:17nCCCCCCClCNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19Cl2N |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.247 |
Area: | 444.398 |
Solvation: | -0.862961 |
Coulombic: | -12.2904 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.213 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.59 |
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 |
---|