ChemDB: Chemical Search
Download
Chemical ID: 4253578
Chemical ID:
4253578
Name [?]:
3-[(2-chlorophenyl)methyl]pyrrolidine
SMILES [?]:
c1ccc(c(c1)CC2CCNC2)Cl
InChi [?]:
InChI=1/C11H14ClN/c12-11-4-2-1-3-10(11)7-9-5-6-13-8-9/h1-4,9,13H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,10,7,12,8,5,4,13,11/rA:13cCCCCCCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.05288 |
Area: | 359.766 |
Solvation: | -0.941276 |
Coulombic: | -11.1571 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.66 |
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 |
---|