Molecule

ID:92307

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClNO₂
Molecular Mass
149.57552
Exact Mass
149.02435618
Charge
0
InChI
InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
InChIKey
XMWFMEYDRNJSOO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)N1CCOCC1
Isomeric Smiles
O1CCN(CC1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.20529008
LogD (pH = 7.4)
0.20529008
Log P
0.20529008
Molar Refractivity
34.0468
Polarizability
13.11962
Polar Surface Area
29.54
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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