Molecule

ID:20089

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H18ClNO/c1-3-11(2)12-4-7-14(8-5-12)19-16-9-6-13(18)10-15(16)17/h4-11H,3,18H2,1-2H3
InChIKey
RKPJQUWWYQWUOE-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1Cl)N)C
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1ccc(cc1)C(CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.932444
LogD (pH = 7.4)
4.938156
Log P
4.9382296
Molar Refractivity
80.5958
Polarizability
30.970524
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