Molecule

ID:34801

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKey
SMJGJENXFSWIMQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNc1ccccn1
Isomeric Smiles
c1(ncccc1)NCc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.408929
LogD (pH = 7.4)
2.328807
Log P
2.389611
Molar Refractivity
65.4842
Polarizability
24.527084
Polar Surface Area
34.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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