Molecule

ID:20840

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H21NO.ClH/c1-2-5-16(6-3-1)17-10-8-15(9-11-17)14-20-18-7-4-12-19-13-18;/h1-3,5-6,8-11,18-19H,4,7,12-14H2;1H
InChIKey
CSTHKRPLYQAKRP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)OCc1ccc(cc1)c1ccccc1.Cl
Isomeric Smiles
c1(c2ccccc2)ccc(COC2CNCCC2)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4070435
LogD (pH = 7.4)
1.3958362
Log P
3.597409
Molar Refractivity
82.6969
Polarizability
33.937893
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