Molecule

ID:72030

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9;/h1-5,8H,6-7,11H2;1H
InChIKey
YKUPNEOUQMMOGV-UHFFFAOYSA-N
Canonic Smiles
NC1CN(C(=O)C1)c1ccccc1.Cl
Isomeric Smiles
C1C(=O)N(CC1N)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
19.04891
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.556229
LogD (pH = 7.4)
-1.0964704
Log P
0.27614728
Molar Refractivity
49.7972
Polarizability
19.686518
Polar Surface Area
46.33
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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