Molecule
ID:65303
General Information
Molecular Formula
C₃H₆ClNO
Molecular Mass
107.53884
Exact Mass
107.0137915
Charge
0
InChI
InChI=1S/C3H5NO.ClH/c1-2-3-5-4;/h1H,3-4H2;1H
InChIKey
CEFBXYRCGUITCZ-UHFFFAOYSA-N
Canonic Smiles
NOCC#C.Cl
Isomeric Smiles
C#CCON.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.15712923
LogD (pH = 7.4)
-0.13474558
Log P
-0.13445261
Molar Refractivity
19.9112
Polarizability
7.3832235
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...