Molecule

ID:19437

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H19NO.ClH/c1-2-4-16(5-3-1)19-17-8-6-14(7-9-17)15-10-12-18-13-11-15;/h1-9,15,18H,10-13H2;1H
InChIKey
BIGMUKPPNOBNSV-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1ccc(cc1)Oc1ccccc1.Cl
Isomeric Smiles
N1CCC(c2ccc(Oc3ccccc3)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.35614175
LogD (pH = 7.4)
1.0042892
Log P
3.578598
Molar Refractivity
77.7198
Polarizability
30.634417
Polar Surface Area
21.26
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