Molecule

ID:90357

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClN
Molecular Mass
107.5819
Exact Mass
107.05017701
Charge
0
InChI
InChI=1S/C4H9N.ClH/c1-4(2)3-5;/h1,3,5H2,2H3;1H
InChIKey
IOXCSDPJYGPYFW-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CN.Cl
Isomeric Smiles
NCC(=C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.6532416
LogD (pH = 7.4)
-1.8519697
Log P
0.34915224
Molar Refractivity
23.3635
Polarizability
9.418702
Polar Surface Area
26.02
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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