Molecule
ID:16975
General Information
Molecular Formula
C₃H₈ClNO
Molecular Mass
109.55472
Exact Mass
109.02944156
Charge
0
InChI
InChI=1S/C3H7NO.ClH/c1-2-4-5-3-1;/h4H,1-3H2;1H
InChIKey
HPIVVOQIZYNVJE-UHFFFAOYSA-N
Canonic Smiles
C1CCNO1.Cl
Isomeric Smiles
C1CNOC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.35684934
LogD (pH = 7.4)
-0.2519407
Log P
-0.2504248
Molar Refractivity
29.5549
Polarizability
7.7528024
Polar Surface Area
21.26
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
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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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