Molecule

ID:48830

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-7(2)9(11)10(14)12-5-3-8(13)4-6-12;/h7-9,13H,3-6,11H2,1-2H3;1H
InChIKey
JRJCHHCPKSIIGV-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCC(CC1)O)C(C)C.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)O)C(N)C(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.177587
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4520693
LogD (pH = 7.4)
-1.8674254
Log P
-0.73274696
Molar Refractivity
54.8328
Polarizability
21.78275
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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