Molecule

ID:73489

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c18-12-5-3-4-11(10-12)13-8-9-16-14-6-1-2-7-15(14)17-13/h1-7,10,16,18H,8-9H2
InChIKey
JBYLMCZNJRMUCA-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)C1=Nc2ccccc2NCC1
Isomeric Smiles
N1=C(c2cc(ccc2)O)CCNc2ccccc12
Calculated Properties
JChem
Acid pKa
8.6851015
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7994602
LogD (pH = 7.4)
2.7783659
Log P
2.8002064
Molar Refractivity
75.5214
Polarizability
27.16837
Polar Surface Area
44.62
Rotatable Bonds
1
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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