Molecule

ID:48849

General Information
Structure
Molecular Formula
C₉H₂₁ClN₂O
Molecular Mass
208.72884
Exact Mass
208.13424098
Charge
0
InChI
InChI=1S/C9H20N2O.ClH/c1-5-6-7-11(4)8(12)9(2,3)10;/h5-7,10H2,1-4H3;1H
InChIKey
DQRPLUVMYRHJOR-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C(N)(C)C)C.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(CCCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9623268
LogD (pH = 7.4)
-0.4350336
Log P
0.81836313
Molar Refractivity
50.6998
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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