Molecule

ID:74254

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKey
DUNAVVRRZJQGCZ-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)OC(C)(C)C.Cl
Isomeric Smiles
Cl.N1(C(=O)OC(C)(C)C)CCCC(C1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2202446
LogD (pH = 7.4)
-1.2168616
Log P
0.75889534
Molar Refractivity
54.8495
Polarizability
21.854008
Polar Surface Area
55.56
Rotatable Bonds
2
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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