Molecule

ID:55768

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂O
Molecular Mass
160.60146
Exact Mass
160.0403406
Charge
0
InChI
InChI=1S/C6H8N2O.ClH/c1-4-2-3-5(9-4)6(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKey
SUJJSRVGDGZRTB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)C(=N)N.Cl
Isomeric Smiles
c1(oc(cc1)C)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8696202
LogD (pH = 7.4)
-0.3494821
Log P
0.15352225
Molar Refractivity
45.2711
Polarizability
12.669707
Polar Surface Area
63.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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