Molecule

ID:48759

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-7-5-6(10)8(2)3-4-9;/h7,9H,3-5H2,1-2H3;1H
InChIKey
YHDDLYKESITUKK-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N(CCO)C.Cl
Isomeric Smiles
C(=O)(N(CCO)C)CNC.Cl
Calculated Properties
JChem
Acid pKa
15.574783
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.740669
LogD (pH = 7.4)
-3.189394
Log P
-1.7645876
Molar Refractivity
38.6859
Polarizability
15.164111
Polar Surface Area
52.57
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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