Molecule

ID:70269

General Information
Structure
MolImage
Molecular Formula
C₃H₉ClN₂O
Molecular Mass
124.56936
Exact Mass
124.0403406
Charge
0
InChI
InChI=1S/C3H8N2O.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
InChIKey
TVHBMXJAQHVCSA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=N)N.Cl
Isomeric Smiles
C(=N)(N)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4196143
LogD (pH = 7.4)
-1.8960701
Log P
-0.017427724
Molar Refractivity
33.7011
Polarizability
8.840834
Polar Surface Area
59.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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