Molecule

ID:55524

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c1-2-6-3-4-8-7(5-6)9(11)10(13)12-8;/h3-5,9H,2,11H2,1H3,(H,12,13);1H
InChIKey
GXVLANNTHIQVSE-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)C(N)C(=O)N2.Cl
Isomeric Smiles
C1(=O)Nc2c(C1N)cc(cc2)CC.Cl
Calculated Properties
JChem
Acid pKa
12.910377
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.79375136
LogD (pH = 7.4)
0.83197814
Log P
1.208
Molar Refractivity
52.2228
Polarizability
19.60209
Polar Surface Area
55.12
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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