Molecule

ID:48876

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H
InChIKey
YTFJJZDVDWBIJD-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCOCC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8919522
LogD (pH = 7.4)
-0.19796471
Log P
0.49952412
Molar Refractivity
65.8064
Polarizability
25.91495
Polar Surface Area
55.56
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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