Molecule

ID:46060

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-4-14(2,3)11-5-7-12(8-6-11)16-13-9-15-10-13/h5-8,13,15H,4,9-10H2,1-3H3
InChIKey
CSJKVPQCFJLHBD-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OC1CNC1)(C)C
Isomeric Smiles
N1CC(Oc2ccc(C(CC)(C)C)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4714782
LogD (pH = 7.4)
2.117535
Log P
3.3290381
Molar Refractivity
66.2137
Polarizability
26.480017
Polar Surface Area
21.26
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