Molecule

ID:48785

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-7(2)5(8)3-4-6;/h3-4,6H2,1-2H3;1H
InChIKey
MIXAHKDWLQNRES-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N(C)C.Cl
Isomeric Smiles
C(=O)(N(C)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2041073
LogD (pH = 7.4)
-2.9813776
Log P
-1.2700533
Molar Refractivity
32.3184
Polarizability
12.678941
Polar Surface Area
46.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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