Molecule

ID:37419

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O
Molecular Mass
158.58558
Exact Mass
158.02469053
Charge
0
InChI
InChI=1S/C6H7ClN2O/c1-2-9-4-5(3-8-9)6(7)10/h3-4H,2H2,1H3
InChIKey
KQEWJSXRBCNGPX-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(cn1)C(=O)Cl
Isomeric Smiles
n1(cc(cn1)C(=O)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.94881505
LogD (pH = 7.4)
0.94882625
Log P
0.9488264
Molar Refractivity
50.8247
Polarizability
14.576149
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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