Molecule

ID:20133

General Information
Structure
Molecular Formula
C₁₉H₁₈ClNO
Molecular Mass
311.80532
Exact Mass
311.10769188
Charge
0
InChI
InChI=1S/C19H17NO.ClH/c20-17-10-12-18(13-11-17)21-19-9-5-4-8-16(19)14-15-6-2-1-3-7-15;/h1-13H,14,20H2;1H
InChIKey
PKJNZQKYSMCUGE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccccc1Cc1ccccc1.Cl
Isomeric Smiles
c1(c(Cc2ccccc2)cccc1)Oc1ccc(N)cc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.70756
LogD (pH = 7.4)
4.736026
Log P
4.736401
Molar Refractivity
86.7364
Polarizability
33.22473
Polar Surface Area
35.25
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