Molecule

ID:19433

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N
Molecular Mass
203.32324
Exact Mass
203.16739968
Charge
0
InChI
InChI=1S/C14H21N/c1-11-7-8-13(10-12(11)2)14-6-4-3-5-9-15-14/h7-8,10,14-15H,3-6,9H2,1-2H3
InChIKey
KSKVAARLNUFARJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1C)C1CCCCCN1
Isomeric Smiles
C1C(NCCCC1)c1cc(c(cc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.6890728
LogD (pH = 7.4)
1.3092539
Log P
3.9131393
Molar Refractivity
65.8016
Polarizability
25.768047
Polar Surface Area
12.03
Rotatable Bonds
1
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