Molecule

ID:48877

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c14-12(8-10-4-2-1-3-5-10)13(17)15-7-6-11(16)9-15;/h1-5,11-12,16H,6-9,14H2;1H
InChIKey
YHNJANBTGOMKLW-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C(=O)C(Cc1ccccc1)N.Cl
Isomeric Smiles
N1(C(=O)C(Cc2ccccc2)N)CC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.827431
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.415381
LogD (pH = 7.4)
-0.7213945
Log P
-0.023875576
Molar Refractivity
65.5908
Polarizability
25.84244
Polar Surface Area
66.56
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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