Molecule

ID:50201

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N
Molecular Mass
203.32324
Exact Mass
203.16739968
Charge
0
InChI
InChI=1S/C14H21N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
UUCYUPRGHXODQD-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCCc1ccccc1
Isomeric Smiles
N1CC(CCCc2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.25558716
LogD (pH = 7.4)
0.62965405
Log P
3.4899704
Molar Refractivity
65.205
Polarizability
25.854467
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