Molecule

ID:124059

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂
Molecular Mass
256.72858
Exact Mass
256.09785547
Charge
0
InChI
InChI=1S/C12H16N2O2.ClH/c15-12(16)10-13-6-8-14(9-7-13)11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,15,16);1H
InChIKey
QCIYPWMAGHVMQC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCN(CC1)c1ccccc1.Cl
Isomeric Smiles
N1(CCN(CC(=O)O)CC1)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
1.8424438
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.310742
LogD (pH = 7.4)
-1.3279685
Log P
-1.3107598
Molar Refractivity
62.6213
Polarizability
23.827322
Polar Surface Area
43.78
Rotatable Bonds
3
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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