Molecule

ID:45896

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c16-13(12-2-1-6-15-10-12)17-9-5-11-3-7-14-8-4-11;/h1-2,6,10-11,14H,3-5,7-9H2;1H
InChIKey
QPCDYCATLKYGOV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)OCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1cnccc1)OCCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0037098
LogD (pH = 7.4)
-1.5451987
Log P
1.2300242
Molar Refractivity
65.5788
Polarizability
25.69765
Polar Surface Area
51.22
Rotatable Bonds
5
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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