Molecule

ID:69377

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-6(2)7(10)8(11)12-9(3,4)5;/h6-7H,10H2,1-5H3;1H/t7-;/m0./s1
InChIKey
AUIVQIHTTVPKFS-FJXQXJEOSA-N
Canonic Smiles
CC([C@@H](C(=O)OC(C)(C)C)N)C.Cl
Isomeric Smiles
C(=O)([C@@H](N)C(C)C)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.43663308
LogD (pH = 7.4)
1.1677066
Log P
1.5086377
Molar Refractivity
48.0676
Polarizability
19.596916
Polar Surface Area
52.32
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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