Molecule

ID:55680

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO₂
Molecular Mass
223.74018
Exact Mass
223.13390663
Charge
0
InChI
InChI=1S/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m0./s1
InChIKey
RFUWRXIYTQGFGA-QRPNPIFTSA-N
Canonic Smiles
CC(C[C@@H](C(=O)OC(C)(C)C)N)C.Cl
Isomeric Smiles
C(=O)(OC(C)(C)C)[C@H](CC(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.009986944
LogD (pH = 7.4)
1.5796559
Log P
1.8752526
Molar Refractivity
52.7456
Polarizability
21.43788
Polar Surface Area
52.32
Rotatable Bonds
5
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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