Molecule

ID:29261

General Information
Structure
Molecular Formula
C₁₆H₂₅N
Molecular Mass
231.3764
Exact Mass
231.19869981
Charge
0
InChI
InChI=1S/C16H25N/c1-16(2,3)14-10-8-13(9-11-14)12-17-15-6-4-5-7-15/h8-11,15,17H,4-7,12H2,1-3H3
InChIKey
PYPZMYBMLBUSCO-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNC1CCCC1)(C)C
Isomeric Smiles
C(c1ccc(CNC2CCCC2)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2094946
LogD (pH = 7.4)
1.8675574
Log P
4.4313526
Molar Refractivity
74.3851
Polarizability
29.541811
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