Molecule

ID:48815

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁ClN₂O
Molecular Mass
208.72884
Exact Mass
208.13424098
Charge
0
InChI
InChI=1S/C9H20N2O.ClH/c1-5-11(6-2)9(12)8(10)7(3)4;/h7-8H,5-6,10H2,1-4H3;1H
InChIKey
QXAODYLFHZRLAT-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(C(C)C)N)CC.Cl
Isomeric Smiles
C(=O)(C(N)C(C)C)N(CC)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0565188
LogD (pH = 7.4)
-0.47187936
Log P
0.6628093
Molar Refractivity
50.6057
Polarizability
20.040365
Polar Surface Area
46.33
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
No Data Available
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Molecule Details
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References
Bioactivity
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