Molecule

ID:34508

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-4(6)5(8)7(2)3;/h4H,6H2,1-3H3;1H
InChIKey
KBHZDXUKDVJVSS-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)C(N)C.Cl
Isomeric Smiles
C(=O)(N(C)C)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.588814
LogD (pH = 7.4)
-1.9594479
Log P
-0.9383018
Molar Refractivity
32.1129
Polarizability
12.678941
Polar Surface Area
46.33
Rotatable Bonds
1
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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