Molecule

ID:63134

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO
Molecular Mass
123.5813
Exact Mass
123.04509163
Charge
0
InChI
InChI=1S/C4H9NO.ClH/c1-5-2-4(6)3-5;/h4,6H,2-3H2,1H3;1H
InChIKey
GYTMWEWMNIDGQA-UHFFFAOYSA-N
Canonic Smiles
OC1CN(C1)C.Cl
Isomeric Smiles
Cl.C1C(CN1C)O
Calculated Properties
JChem
Acid pKa
14.794964
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.389747
LogD (pH = 7.4)
-0.8563389
Log P
-0.6116904
Molar Refractivity
23.9816
Polarizability
9.517664
Polar Surface Area
23.47
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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