Molecule

ID:30013

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-6,8-9H,7,10,16H2
InChIKey
MGGJGFVVDXXCPJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCc1nc2c(o1)cccc2
Isomeric Smiles
n1c(oc2c1cccc2)CCc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8598566
LogD (pH = 7.4)
2.8924804
Log P
2.8929126
Molar Refractivity
71.1871
Polarizability
28.122927
Polar Surface Area
52.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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