Molecule

ID:48756

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-6-4-5(8)7(2)3;/h6H,4H2,1-3H3;1H
InChIKey
RLWSIIFYGBQLKH-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N(C)C.Cl
Isomeric Smiles
C(=O)(N(C)C)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0507956
LogD (pH = 7.4)
-2.4997663
Log P
-1.0744857
Molar Refractivity
32.3936
Polarizability
12.678941
Polar Surface Area
32.34
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
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References
Bioactivity
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