Molecule

ID:45967

General Information
Structure
Molecular Formula
C₆H₁₀ClNO
Molecular Mass
147.6027
Exact Mass
147.04509163
Charge
0
InChI
InChI=1S/C6H9NO.ClH/c1-2-3-8-6-4-7-5-6;/h1,6-7H,3-5H2;1H
InChIKey
VERYWYWIDHFMNG-UHFFFAOYSA-N
Canonic Smiles
C#CCOC1CNC1.Cl
Isomeric Smiles
C1C(CN1)OCC#C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.076852
LogD (pH = 7.4)
-1.5026263
Log P
-0.12352881
Molar Refractivity
31.0183
Polarizability
12.173411
Polar Surface Area
21.26
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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