Molecule

ID:15420

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂ClNO
Molecular Mass
125.59718
Exact Mass
125.06074169
Charge
0
InChI
InChI=1S/C4H11NO.ClH/c1-4(3-5)6-2;/h4H,3,5H2,1-2H3;1H
InChIKey
HDXPVDSGCDOOFU-UHFFFAOYSA-N
Canonic Smiles
CC(OC)CN.Cl
Isomeric Smiles
NCC(OC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2437024
LogD (pH = 7.4)
-2.304067
Log P
-0.25585935
Molar Refractivity
25.3811
Polarizability
10.314882
Polar Surface Area
35.25
Rotatable Bonds
2
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