Molecule

ID:33223

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O
Molecular Mass
146.57488
Exact Mass
146.02469053
Charge
0
InChI
InChI=1S/C5H7ClN2O/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3
InChIKey
IBQLBYSHFYJCJG-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(o1)CCl
Isomeric Smiles
n1nc(oc1CCl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43869463
LogD (pH = 7.4)
0.43869466
Log P
0.43869466
Molar Refractivity
35.2451
Polarizability
12.837965
Polar Surface Area
38.92
Rotatable Bonds
2
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
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References
Bioactivity
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