Molecule
ID:15423
General Information
Molecular Formula
C₆H₁₆ClNO
Molecular Mass
153.65034
Exact Mass
153.09204182
Charge
0
InChI
InChI=1S/C6H15NO.ClH/c1-5(2)6(7)4-8-3;/h5-6H,4,7H2,1-3H3;1H
InChIKey
MELMFNVCMMMNKN-UHFFFAOYSA-N
Canonic Smiles
COCC(C(C)C)N.Cl
Isomeric Smiles
C(N)(C(C)C)COC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3782048
LogD (pH = 7.4)
-1.6726419
Log P
0.63163584
Molar Refractivity
34.3767
Polarizability
14.000582
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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