Molecule

ID:19581

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H14ClNO2/c1-13-6-3-7-14-10-8(11)4-2-5-9(10)12/h2,4-5H,3,6-7,12H2,1H3
InChIKey
FLHYGAZNWBJQPU-UHFFFAOYSA-N
Canonic Smiles
COCCCOc1c(N)cccc1Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5971833
LogD (pH = 7.4)
1.6035951
Log P
1.6036775
Molar Refractivity
57.9353
Polarizability
22.108694
Polar Surface Area
44.48
Rotatable Bonds
5
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