Molecule

ID:10520

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O
Molecular Mass
172.61216
Exact Mass
172.0403406
Charge
0
InChI
InChI=1S/C7H8N2O.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,10H,(H3,8,9);1H
InChIKey
VHVJRSVTZPYXEH-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)O.Cl
Isomeric Smiles
c1c(ccc(c1)C(=N)N)O.Cl
Calculated Properties
JChem
Acid pKa
7.8792257
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.6528469
LogD (pH = 7.4)
-0.34529728
Log P
0.24356021
Molar Refractivity
49.7114
Polarizability
14.621682
Polar Surface Area
70.1
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
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Molecule Details
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References
Bioactivity
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