Molecule

ID:30195

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c1-5-4-7-3-2-6(5)8;/h5-8H,2-4H2,1H3;1H
InChIKey
RRSULSNKSVBZRD-UHFFFAOYSA-N
Canonic Smiles
CC1CNCCC1O.Cl
Isomeric Smiles
N1CC(C(CC1)O)C.Cl
Calculated Properties
JChem
Acid pKa
14.879342
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6058338
LogD (pH = 7.4)
-2.7929711
Log P
-0.39549533
Molar Refractivity
32.8341
Polarizability
13.196873
Polar Surface Area
32.26
Rotatable Bonds
0
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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