Molecule

ID:133149

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O₃
Molecular Mass
238.71176
Exact Mass
238.10842016
Charge
0
InChI
InChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H
InChIKey
ZEPNUNKDKQACNC-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)OC(C)(C)C)CCC(=O)N.Cl
Isomeric Smiles
CC(C)(C)OC(=O)C(CCC(=O)N)N.Cl
Calculated Properties
JChem
Acid pKa
16.457186
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2118244
LogD (pH = 7.4)
-0.7446224
Log P
-0.5389509
Molar Refractivity
51.6846
Polarizability
20.846083
Polar Surface Area
95.41
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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