Molecule

ID:19642

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO
Molecular Mass
247.72006
Exact Mass
247.07639175
Charge
0
InChI
InChI=1S/C14H14ClNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2
InChIKey
XMXNGDMGABPLTL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)OCCc1ccccc1
Isomeric Smiles
c1(cc(ccc1OCCc1ccccc1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5986953
LogD (pH = 7.4)
3.6037626
Log P
3.6038275
Molar Refractivity
71.394
Polarizability
27.20184
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