Molecule

ID:45626

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8;/h1-2,7-8,11H,3-6H2,(H,12,13);1H
InChIKey
YOYOLKAXTYRSBX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccco1)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1occc1)NC1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
14.139427
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4686353
LogD (pH = 7.4)
-2.784315
Log P
-0.248433
Molar Refractivity
52.5804
Polarizability
20.059559
Polar Surface Area
54.27
Rotatable Bonds
2
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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