Molecule

ID:91088

General Information
Structure
MolImage
Molecular Formula
C₂H₈ClNO
Molecular Mass
97.54402
Exact Mass
97.02944156
Charge
0
InChI
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKey
PMUNIMVZCACZBB-UHFFFAOYSA-N
Canonic Smiles
NCCO.Cl
Isomeric Smiles
OCCN.Cl
Calculated Properties
JChem
Acid pKa
15.610099
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.3092356
LogD (pH = 7.4)
-3.4192636
Log P
-1.3155609
Molar Refractivity
16.2111
Polarizability
6.5665693
Polar Surface Area
46.25
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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