Molecule

ID:55193

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈ClN
Molecular Mass
151.67752
Exact Mass
151.11277726
Charge
0
InChI
InChI=1S/C7H17N.ClH/c1-4-7(5-2)8-6-3;/h7-8H,4-6H2,1-3H3;1H
InChIKey
XKKWLFNGNNPKGC-UHFFFAOYSA-N
Canonic Smiles
CCNC(CC)CC.Cl
Isomeric Smiles
N(C(CC)CC)CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2562928
LogD (pH = 7.4)
-1.050468
Log P
1.9823573
Molar Refractivity
37.6574
Polarizability
15.189125
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation