Molecule

ID:30731

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-11,15H2,1H3
InChIKey
RYTWCTSDMHVTPC-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)c1ccc(cc1)OC
Isomeric Smiles
C1(c2ccc(cc2)OC)(CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1456292
LogD (pH = 7.4)
0.78801817
Log P
2.842958
Molar Refractivity
66.6201
Polarizability
26.479284
Polar Surface Area
35.25
Rotatable Bonds
3
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