Molecule

ID:51290

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H18N2O.ClH/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;/h1-4,12,15H,5-10H2;1H
InChIKey
JMLZUWGVEHXDLM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c(N1C1CCNCC1)cccc2.Cl
Isomeric Smiles
N1(C(=O)CCc2c1cccc2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1956632
LogD (pH = 7.4)
-1.5098711
Log P
1.0244431
Molar Refractivity
67.4582
Polarizability
26.32569
Polar Surface Area
32.34
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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