Molecule
ID:55358
General Information
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-7-5(8)3-2-4-6;/h2-4,6H2,1H3,(H,7,8);1H
InChIKey
NAVSCJJGECHRQY-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCCN.Cl
Isomeric Smiles
C(=O)(NC)CCCN.Cl
Calculated Properties
JChem
Acid pKa
16.493633
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.223325
LogD (pH = 7.4)
-3.6632144
Log P
-1.2050681
Molar Refractivity
32.1767
Polarizability
12.678941
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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