Molecule

ID:68511

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO
Molecular Mass
123.5813
Exact Mass
123.04509163
Charge
0
InChI
InChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m1./s1
InChIKey
QPMSJEFZULFYTB-PGMHMLKASA-N
Canonic Smiles
O[C@H]1CNCC1.Cl
Isomeric Smiles
N1C[C@@H](CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.857613
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1708517
LogD (pH = 7.4)
-3.8556705
Log P
-0.93477863
Molar Refractivity
23.5523
Polarizability
9.517664
Polar Surface Area
32.26
Rotatable Bonds
0
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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