Molecule

ID:65037

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇ClN₂O₄
Molecular Mass
322.82818
Exact Mass
322.16593503
Charge
0
InChI
InChI=1S/C14H26N2O4.ClH/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4;/h5-10,15H2,1-4H3;1H
InChIKey
SFMPURZDNLVYGF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CN)CCN(CC1)C(=O)OC(C)(C)C.Cl
Isomeric Smiles
C1N(CCC(C1)(C(=O)OCC)CN)C(=O)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0776803
LogD (pH = 7.4)
-0.78488237
Log P
0.8344886
Molar Refractivity
75.5213
Polarizability
30.017082
Polar Surface Area
81.86
Rotatable Bonds
6
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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