Molecule

ID:103982

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
InChIKey
MDIGAZPGKJFIAH-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cc(O)cc2.Cl
Isomeric Smiles
Cl.NCCc1c[nH]c2c1cc(O)cc2
Calculated Properties
JChem
Acid pKa
9.314034
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-1.8204005
LogD (pH = 7.4)
-1.0317981
Log P
0.481548
Molar Refractivity
52.3538
Polarizability
21.302618
Polar Surface Area
62.04
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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