Molecule

ID:110923

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N
Molecular Mass
139.23798
Exact Mass
139.13609955
Charge
0
InChI
InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
InChIKey
PLZZPPHAMDJOSR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC#N
Isomeric Smiles
CCCCCCCCC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.202551
LogD (pH = 7.4)
3.202551
Log P
3.202551
Molar Refractivity
43.8559
Polarizability
17.162586
Polar Surface Area
23.79
Rotatable Bonds
6
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
References
Bioactivity
Navigation