Molecule

ID:8399

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₃
Molecular Mass
233.69194
Exact Mass
233.08187106
Charge
0
InChI
InChI=1S/C10H15NO3.ClH/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12;/h5-6,12H,3-4,11H2,1-2H3;1H
InChIKey
TTZCOFGHDPRVFN-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c(c(c1)OC)O.Cl
Isomeric Smiles
c1(cc(c(c(c1)OC)O)OC)CCN.Cl
Calculated Properties
JChem
Acid pKa
9.365899
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2355862
LogD (pH = 7.4)
-1.4594252
Log P
0.120147064
Molar Refractivity
54.1937
Polarizability
21.106703
Polar Surface Area
64.71
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
CAS 2176-14-9|4-(2-aminoethyl)-2,6-dimethoxyphenol hydrochloride|4-(2-aminoethyl)-2,6-dimethoxyphenol hydrochloride|3,5-Dimethoxy-4-hydroxyphenethylamine hydrochloride | Molfinder