Molecule

ID:69545

General Information
Structure
MolImage
Molecular Formula
CH₆ClNO
Molecular Mass
83.51744
Exact Mass
83.0137915
Charge
0
InChI
InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
InChIKey
XNXVOSBNFZWHBV-UHFFFAOYSA-N
Canonic Smiles
CON.Cl
Isomeric Smiles
NOC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.39036477
LogD (pH = 7.4)
-0.36289734
Log P
-0.36253566
Molar Refractivity
12.331
Polarizability
4.8056803
Polar Surface Area
35.25
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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