Molecule

ID:125370

General Information
Structure
MolImage
Molecular Formula
C₃H₄ClN
Molecular Mass
89.52356
Exact Mass
89.00322681
Charge
0
InChI
InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
InChIKey
GNHMRTZZNHZDDM-UHFFFAOYSA-N
Canonic Smiles
ClCCC#N
Isomeric Smiles
ClCCC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6089597
LogD (pH = 7.4)
0.6089597
Log P
0.6089597
Molar Refractivity
21.0756
Polarizability
7.9784846
Polar Surface Area
23.79
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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