Molecule

ID:28359

General Information
Structure
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10,14H2
InChIKey
MVEYDZDGZDCVQQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCCc1ccccn1
Isomeric Smiles
n1c(CCOc2c(N)cccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.598349
LogD (pH = 7.4)
1.808592
Log P
1.8119339
Molar Refractivity
63.8545
Polarizability
24.454002
Polar Surface Area
48.14
Rotatable Bonds
4
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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