Molecule

ID:91016

General Information
Structure
MolImage
Molecular Formula
C₃H₄ClNO
Molecular Mass
105.52296
Exact Mass
104.99814143
Charge
0
InChI
InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
Canonic Smiles
ClCCN=C=O
Isomeric Smiles
ClCCN=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.62187034
LogD (pH = 7.4)
0.62187034
Log P
0.62187034
Molar Refractivity
22.6815
Polarizability
8.713598
Polar Surface Area
29.43
Rotatable Bonds
2
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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