Molecule

ID:19565

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO
Molecular Mass
247.72006
Exact Mass
247.07639175
Charge
0
InChI
InChI=1S/C14H14ClNO/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKey
PAFHADNXDIMKBB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCCc1ccccc1)Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.596276
LogD (pH = 7.4)
3.6037316
Log P
3.6038275
Molar Refractivity
71.394
Polarizability
27.228561
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