Molecule

ID:45898

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c16-13(11-4-3-7-14-10-11)17-9-6-12-5-1-2-8-15-12;/h3-4,7,10,12,15H,1-2,5-6,8-9H2;1H
InChIKey
HFIHMIYOTLSNCY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)OCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(c1cnccc1)OCCC1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8689526
LogD (pH = 7.4)
-1.4093372
Log P
1.3647399
Molar Refractivity
65.3284
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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