Molecule

ID:102807

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀ClN
Molecular Mass
95.5712
Exact Mass
95.05017701
Charge
0
InChI
InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
InChIKey
SZYJELPVAFJOGJ-UHFFFAOYSA-N
Canonic Smiles
CN(C)C.Cl
Isomeric Smiles
Cl.CN(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.97
LogD (pH = 5.5)
-3.21
Log P
0.19
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.57
Polar Surface Area
3.24
Polarizability
7.64
Molar Refractivity
19.99
LOG S
0.90
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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