Molecule

ID:84695

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey
VUEWBPBFUKIDKK-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CC(C)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.30221814
LogD (pH = 7.4)
0.79475605
Log P
3.1299815
Molar Refractivity
61.2143
Polarizability
24.085196
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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