Molecule

ID:48819

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O₂
Molecular Mass
222.71236
Exact Mass
222.11350554
Charge
0
InChI
InChI=1S/C9H18N2O2.ClH/c1-6(2)8(10)9(13)11-4-3-7(12)5-11;/h6-8,12H,3-5,10H2,1-2H3;1H
InChIKey
BJINDKMDQJRLQY-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C(=O)C(C(C)C)N.Cl
Isomeric Smiles
N1(C(=O)C(N)C(C)C)CC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.827431
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.512004
LogD (pH = 7.4)
-1.9273404
Log P
-0.7927067
Molar Refractivity
49.9674
Polarizability
19.94658
Polar Surface Area
66.56
Rotatable Bonds
2
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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